3-(4-tert-butylphenyl)-2-oxopropanoic acid, 95%

Name: 3-(4-tert-butylphenyl)-2-oxopropanoic acid
Brand: Chempure

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CAS Number

100612-75-7

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About this item

IUPAC name	3-(4-tert-butylphenyl)-2-oxopropanoic acid
inchi	InChI=1S/C13H16O3/c1-13(2,3)10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7H,8H2,1-3H3,(H,15,16)
inchi key	HXQKWGQEVYRRIT-UHFFFAOYSA-N
molecular formula	C13H16O3
synonyms	100612-75-7 3-(4-TERT-BUTYLPHENYL)-2-OXOPROPANOIC ACID 3-[4-(tert-Butyl)phenyl]-2-oxopropanoic Acid 3-(4-(tert-Butyl)phenyl)-2-oxopropanoic acid SCHEMBL6775096

Computed Properties

Molecular Weight:	220.26 g/mol
XLogP3:	2.9
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	4
Exact Mass:	220.109944368 g/mol
Monoisotopic Mass:	220.109944368 g/mol
Topological Polar Surface Area:	54.4 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	267
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

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning 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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Product No: AX2482

3-(4-tert-butylphenyl)-2-oxopropanoic acid, 95%

Product No: AX2482

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NAME AND IDENTIFIERS

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SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?