AG00E9C2

6297-22-9 | Methyl 4-ketocyclohexanecarboxylate

AG00E9C2

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CAS Number	6297-22-9
Catalog Number	AG00E9C2(AGN-PC-0JO69L)
Chemical Name	Methyl 4-ketocyclohexanecarboxylate
EC Number	613-123-5
IUPAC Name	methyl 4-oxocyclohexane-1-carboxylate
InChI	InChI=1S/C8H12O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6H,2-5H2,1H3
InChI Key	BLYKGTCYDJZLFB-UHFFFAOYSA-N
MDL Number	MFCD00270324
Molecular Formula	C8H12O3
Molecular Weight	156.1791
NSC Number	17321
SMILES	O=C(C1CCC(CC1)=O)OC
Synonyms	methyl 4-oxocyclohexanecarboxylate, 6297-22-9, METHYL 4-KETOCYCLOHEXANECARBOXYLATE, 4-Oxo-cyclohexanecarboxylic acid methyl ester, methyl 4-oxocyclohexane-1-carboxylate, Methyl cyclohexanone-4-carboxylate, cyclohexanecarboxylic acid, 4-oxo-, methyl ester, 4-Cyclohexane carboxylic acid methyl ester, methyl4-oxocyclohexanecarboxylate, 4-(Methoxycarbonyl)cyclohexanone, cyclohexanone-4-carboxylic acid methyl ester, Cyclohexanecarboxylicacid, 4-oxo-, methyl ester, 4-oxo-cyclohexane-1-carboxylic acid methyl ester, PubChem14010, AC1L5EWT, AC1Q6EJE, 4-Methoxycarbonylcyclohexanone, SCHEMBL791232, 4-carbomethoxy-1-cyclohexanone, CYC026, AMCH00017, CTK5B6868, KS-00000BPT, DTXSID50280517, BLYKGTCYDJZLFB-UHFFFAOYSA-N, methyl 4-oxocyclohexane carboxylate, methyl 4-oxocyclohexane-carboxylate, ACT06889, methyl 4-ketocyclohexane carboxylate, NSC17321, ZINC1758609, AN-154, ANW-46705, KM0679, MFCD00270324, NSC 17321, NSC-17321, RW2937, AKOS006272504, CS-W005848, QC-2191, RP22027, AJ-31539, AK-82287, AS-18457, BC206442, SC-24169, SY022071, 4-keto-cyclohexyl formic acid methyl ester, 4-oxocyclohexane carboxylic acid methylester, 4-Oxocyclohexanecarboxylic acid methyl ester, AB0025934, DB-030028, ST2407261, TC-062667, 4CH-005309, AM20070503, FT-0671884, W7499, MFCD00270324 (95%), 297C229, I04-1389, J-522365, I14-21394, InChI=1/C8H12O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6H,2-5H2,1H, 4-ketocyclohexanecarboxylate, C8H12O3, Methyl4-ketocyclohexanecarboxylate, Methy-4-oxocyclohexane carboxylate, AR-1J5478, CID226643, ACN-043566, 6957-73-9,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.079g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	156.181g/mol
Monoisotopic Mass	156.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number