AG003ROZ

52784-32-4 | Methyl 2-oxo-cycloheptanecarboxylate

AG003ROZ

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CAS Number	52784-32-4
Catalog Number	AG003ROZ(AGN-PC-0JP9YZ)
Chemical Name	Methyl 2-oxo-cycloheptanecarboxylate
IUPAC Name	methyl 2-oxocycloheptane-1-carboxylate
InChI	InChI=1S/C9H14O3/c1-12-9(11)7-5-3-2-4-6-8(7)10/h7H,2-6H2,1H3
InChI Key	BLNHITXSJKCQGZ-UHFFFAOYSA-N
MDL Number	MFCD00010809
Molecular Formula	C9H14O3
Molecular Weight	170.2057
NSC Number	148967
SMILES	COC(=O)C1CCCCCC1=O
Synonyms	52784-32-4, Methyl 2-oxo-cycloheptanecarboxylate, Methyl 2-oxo-1-cycloheptanecarboxylate, methyl 2-oxocycloheptanecarboxylate, methyl 2-oxocycloheptane-1-carboxylate, Methyl cycloheptanone-2-carboxylate, 2-oxocycloheptanecarboxylic acid methyl ester, 2-oxo-cycloheptanecarboxylic acid methyl ester, Cycloheptanecarboxylic acid, 2-oxo-, methyl ester, NSC148967, Enamine_005413, METHYL2-OXO-1-CYCLOHEPTANECARBOXYLATE, ACMC-1AN7W, AC1Q43XB, AC1Q6DF2, AC1L693P, SCHEMBL1615850, CTK4J6499, DTXSID80302135, BLNHITXSJKCQGZ-UHFFFAOYSA-N, HMS1409G01, ALBB-031342, BCP26396, 7466AB, ANW-66543, CM0131, MFCD00010809, AKOS000120962, AKOS016843306, methyl-2-oxo-1-cycloheptanecarboxylate, MCULE-3603977230, NSC-148967, TRA0073928, KS-00000C09, AK-39226, AS-37973, BP-12607, SC-22815, SY003474, AB1006218, TC-155288, 4CH-024103, AM20100296, FT-0640105, ST24047738, Methyl 2-oxo-1-cycloheptanecarboxylate, 99%, Z-3389, MFCD00010809 (97+%), Q-103572, I14-17647, Z56899046, F8889-9278, null, C9H14O3, 2-Oxo-cycloheptanecarboxylic acid m, AR-1J4881, CID288225, 2-Oxo-cycloheptanecarboxylic acid ethyl ester, ACN-054252, 5312-23-2,

Complexity	186
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	1
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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