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Product No: AB1675

2-Cyclopropylacetic acid, 95%

Name: 2-Cyclopropylacetic acid
Brand: Chempure

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CAS Number

5239-82-7

Molecular Weight

100.12

Formula

C5H8O2

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About this item

IUPAC name	2-cyclopropylacetic acid
canonical smiles	C1CC1CC(=O)O
inchi	InChI=1S/C5H8O2/c6-5(7)3-4-1-2-4/h4H,1-3H2,(H,6,7)
inchi key	KVVDRQDTODKIJD-UHFFFAOYSA-N
molecular formula	C5H8O2
synonyms	Cyclopropylacetic acid 5239-82-7 2-cyclopropylacetic acid Cyclopropaneacetic acid cyclopropyl-acetic acid

Computed Properties

Molecular Weight:	100.12 g/mol
XLogP3:	0.8
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	2
Exact Mass:	100.052429494 g/mol
Monoisotopic Mass:	100.052429494 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	84.1
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Benzoic Acid

Lactic Acid

Cysteine

Dichloroacetic acid

Isobutyric acid

Valeric acid

Alanine

Butyric Acid

Isovaleric acid

Ethephon

Sorbic Acid

(2R)-2-ammonio-3-mercaptopropanoate

Chloroacetic acid

Betaine

Gamma-Aminobutyric Acid

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (90.91%) Skin Corr. 1B (10.39%) Skin Irrit. 2 (89.61%) Eye Dam. 1 (90.91%) STOT SE 3 (100%)
precautionary statement codes	P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501
hazard statements	H302 (90.91%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (10.39%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (89.61%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (90.91%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	2-cyclopropylacetic acid
canonical smiles	C1CC1CC(=O)O
inchi	InChI=1S/C5H8O2/c6-5(7)3-4-1-2-4/h4H,1-3H2,(H,6,7)
inchi key	KVVDRQDTODKIJD-UHFFFAOYSA-N
molecular formula	C5H8O2
synonyms	Cyclopropylacetic acid 5239-82-7 2-cyclopropylacetic acid Cyclopropaneacetic acid cyclopropyl-acetic acid

Computed Properties

Molecular Weight:	100.12 g/mol
XLogP3:	0.8
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	2
Exact Mass:	100.052429494 g/mol
Monoisotopic Mass:	100.052429494 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	84.1
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Benzoic Acid

Lactic Acid

Cysteine

Dichloroacetic acid

Isobutyric acid

Valeric acid

Alanine

Butyric Acid

Isovaleric acid

Ethephon

Sorbic Acid

(2R)-2-ammonio-3-mercaptopropanoate

Chloroacetic acid

Betaine

Gamma-Aminobutyric Acid

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (90.91%) Skin Corr. 1B (10.39%) Skin Irrit. 2 (89.61%) Eye Dam. 1 (90.91%) STOT SE 3 (100%)
precautionary statement codes	P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501
hazard statements	H302 (90.91%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (10.39%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (89.61%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (90.91%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: AB1675

2-Cyclopropylacetic acid, 95%

Product No: AB1675

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AB1675

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?