AG00FA13

66405-41-2 | (4-Oxo-cyclohexyl)-acetic acid methyl ester

AG00FA13

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CAS Number	66405-41-2
Catalog Number	AG00FA13(AGN-PC-0373EC)
Chemical Name	(4-Oxo-cyclohexyl)-acetic acid methyl ester
IUPAC Name	methyl 2-(4-oxocyclohexyl)acetate
InChI	InChI=1S/C9H14O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h7H,2-6H2,1H3
InChI Key	AEZHUDXZHNLVKG-UHFFFAOYSA-N
MDL Number	MFCD09031995
Molecular Formula	C9H14O3
Molecular Weight	170.2057
SMILES	COC(=O)CC1CCC(=O)CC1
Synonyms	methyl 2-(4-oxocyclohexyl)acetate, 66405-41-2, Methyl (4-oxocyclohexyl)acetate, (4-OXO-CYCLOHEXYL)-ACETIC ACID METHYL ESTER, SCHEMBL337416, CTK5C4624, KS-00000LIQ, DTXSID90611609, AEZHUDXZHNLVKG-UHFFFAOYSA-N, 0200AC, ANW-72277, MFCD09031995, ZINC21994757, 4-(methoxycarbonylmethyl)cyclohexanone, AKOS006291097, CS-W006286, AJ-79888, AK-44997, DS-13456, SC-49593, AB0070005, DB-020695, ST2413256, TX-015638, 4CH-016441, FT-0713246, J1172, Cyclohexaneacetic acid, 4-oxo-, methyl ester, W-4202, -ACETICACIDMETHYLESTER, Methyl(4-oxocyclohexyl)acetate, C9H14O3, 1179360-43-0,

Complexity	176
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	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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