AG0062LL

934-69-0 | 4-Methylenecyclohexanecarboxylic acid

AG0062LL

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CAS Number	934-69-0
Catalog Number	AG0062LL(AGN-PC-002OW4)
Chemical Name	4-Methylenecyclohexanecarboxylic acid
IUPAC Name	4-methylidenecyclohexane-1-carboxylic acid
InChI	InChI=1S/C8H12O2/c1-6-2-4-7(5-3-6)8(9)10/h7H,1-5H2,(H,9,10)
InChI Key	DENSHBNKGSMOIU-UHFFFAOYSA-N
MDL Number	MFCD17167321
Molecular Formula	C8H12O2
Molecular Weight	140.1797
SMILES	C(=O)(O)C1CCC(=C)CC1
Synonyms	934-69-0, 4-Methylidenecyclohexane-1-carboxylic acid, 4-Methylenecyclohexanecarboxylic acid, 4-methylenecyclohexane carboxylic acid, SCHEMBL39569, CTK5H2556, DTXSID00564475, methylidenecyclohexanecarboxylicacid, KS-000027CN, 3628AF, MFCD17167321, ZINC34375511, AKOS006378649, KE-0726, MCULE-9520777832, RP09824, 4-methylenecyclohexane-1-carboxylic acid, TR-038465, FT-0682650, I04-3415, J-515783, F2167-4392, Z2830704629, C8H12O2,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.084g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	140.182g/mol
Monoisotopic Mass	140.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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