3-Methyl-4-oxocyclohexanecarboxylic acid, 98%

Name: 3-Methyl-4-oxocyclohexanecarboxylic acid
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

101567-36-6

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About this item

IUPAC name	3-methyl-4-oxocyclohexane-1-carboxylic acid
inchi	InChI=1S/C8H12O3/c1-5-4-6(8(10)11)2-3-7(5)9/h5-6H,2-4H2,1H3,(H,10,11)
inchi key	XXRPOQQKFJTUQF-UHFFFAOYSA-N
molecular formula	C8H12O3
synonyms	101567-36-6 3-methyl-4-oxocyclohexane-1-carboxylic acid 3-Methyl-4-oxocyclohexanecarboxylic acid SCHEMBL23326760 BEA56736

Computed Properties

Molecular Weight:	156.18 g/mol
XLogP3:	0.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Exact Mass:	156.078644241 g/mol
Monoisotopic Mass:	156.078644241 g/mol
Topological Polar Surface Area:	54.4 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	186
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	2
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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*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!

Product No: AX5744

3-Methyl-4-oxocyclohexanecarboxylic acid, 98%

Product No: AX5744

About this item

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Product No: AX5744

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?