AG00CISE

37480-41-4 | Cyclohexanecarboxylic acid, 1-methyl-4-oxo-, methyl ester

AG00CISE

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CAS Number	37480-41-4
Catalog Number	AG00CISE(AGN-PC-0NJFMG)
Chemical Name	Cyclohexanecarboxylic acid, 1-methyl-4-oxo-, methyl ester
IUPAC Name	methyl 1-methyl-4-oxocyclohexane-1-carboxylate
InChI	InChI=1S/C9H14O3/c1-9(8(11)12-2)5-3-7(10)4-6-9/h3-6H2,1-2H3
InChI Key	DNTGELMQRSNFPO-UHFFFAOYSA-N
MDL Number	MFCD17013063
Molecular Formula	C9H14O3
Molecular Weight	170.2057
SMILES	O=C(C1(C)CCC(CC1)=O)OC
Synonyms	methyl 1-methyl-4-oxocyclohexanecarboxylate, 37480-41-4, Methyl 1-methyl-4-oxocyclohexane-1-carboxylate, methyl 1-methyl-4-oxo-1-cyclohexanecarboxylate, 1-Methyl-4-oxocyclohexanecarboxylic acidmethyl ester, SCHEMBL3880676, DTXSID60502853, DNTGELMQRSNFPO-UHFFFAOYSA-N, KS-00000RH9, MFCD17013063, ZINC39247635, AKOS016845096, CS-W022775, DS-7102, RL03431, AJ-99359, AK132792, SC-47778, ST2407087, 4CH-005553, J-521781, 1-methyl-4-oxocyclohexanecarboxylic acid methyl ester, Cyclohexanecarboxylic acid, 1-methyl-4-oxo-, methyl ester,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.094g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.208g/mol
Monoisotopic Mass	170.094g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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