AG01A17C

25186-27-0 | 4,4-dimethylcyclohexane-1-carboxylic acid

AG01A17C

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CAS Number	25186-27-0
Catalog Number	AG01A17C(AGN-PC-00ODZT)
Chemical Name	4,4-dimethylcyclohexane-1-carboxylic acid
IUPAC Name	4,4-dimethylcyclohexane-1-carboxylic acid
InChI	InChI=1S/C9H16O2/c1-9(2)5-3-7(4-6-9)8(10)11/h7H,3-6H2,1-2H3,(H,10,11)
InChI Key	KFFJRQIEECCAQS-UHFFFAOYSA-N
MDL Number	MFCD00220442
Molecular Formula	C9H16O2
Molecular Weight	156.2221
SMILES	CC1(CCC(CC1)C(=O)O)C
Synonyms	4,4-dimethylcyclohexane-1-carboxylic acid, 25186-27-0, 4,4-dimethylcyclohexanecarboxylic acid, Cyclohexanecarboxylic acid, 4,4-dimethyl-, SCHEMBL4443561, KFFJRQIEECCAQS-UHFFFAOYSA-N, MFCD00220442, ZINC34189668, 4,4-dimethyl-cyclohexylcarboxylic acid, AKOS013722958, MCULE-4077940511, NE18209, 4,4-Dimethyl-cyclohexanecarboxylic acid, BS-13554, 4,4-DIMETHYLCYCLOHEXANE-1-CARBOXYLICACID,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.115g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	156.225g/mol
Monoisotopic Mass	156.115g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
UN Code	UN 3265

Certificate of Analysis

Lot Number