4-Oxo-4-thien-2-ylbutanoic acid, 95%

Name: 4-Oxo-4-thien-2-ylbutanoic acid
Brand: Chempure

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CAS Number

4653-08-1

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IUPAC name	4-oxo-4-thiophen-2-ylbutanoic acid
inchi	InChI=1S/C8H8O3S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)
inchi key	ULJMYWHLMLRYSO-UHFFFAOYSA-N
molecular formula	C8H8O3S
synonyms	3-(2-Thenoyl)propionic acid 4653-08-1 4-Oxo-4-(2-thienyl)butyric acid 4-oxo-4-(thiophen-2-yl)butanoic acid 4-oxo-4-(2-thienyl)butanoic acid
Compound Description	4-oxo-4-butyric acid is a 4-oxo monocarboxylic acid that is butyric acid bearing oxo and 2-thienyl groups at position 4. It has a role as a hapten. It is a member of thiophenes and a 4-oxo monocarboxylic acid. It is functionally related to a butyric acid.

Computed Properties

Molecular Weight:	184.21 g/mol
XLogP3:	0.7
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	4
Exact Mass:	184.01941529 g/mol
Monoisotopic Mass:	184.01941529 g/mol
Topological Polar Surface Area:	82.6 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	191
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: CF9961

4-Oxo-4-thien-2-ylbutanoic acid, 95%

Product No: CF9961

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NAME AND IDENTIFIERS

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SAFETY AND HAZARDS

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