AG0009VX

1138480-98-4 | Spiro[3.3]heptane-2-carboxylic acid, 6-oxo-, methyl ester

AG0009VX

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CAS Number	1138480-98-4
Catalog Number	AG0009VX(AGN-PC-0BSYU4)
Chemical Name	Spiro[3.3]heptane-2-carboxylic acid, 6-oxo-, methyl ester
IUPAC Name	methyl 2-oxospiro[3.3]heptane-6-carboxylate
InChI	InChI=1S/C9H12O3/c1-12-8(11)6-2-9(3-6)4-7(10)5-9/h6H,2-5H2,1H3
InChI Key	KPVYGLFZWUGNOJ-UHFFFAOYSA-N
MDL Number	MFCD20922770
Molecular Formula	C9H12O3
Molecular Weight	168.1898
SMILES	COC(=O)C1CC2(C1)CC(=O)C2
Synonyms	METHYL 6-OXOSPIRO[3.3]HEPTANE-2-CARBOXYLATE, 1138480-98-4, AK103686, Spiro[3.3]heptane-2-carboxylic acid, 6-oxo-, methyl ester, SCHEMBL15166836, CTK8C0375, DTXSID00725524, KPVYGLFZWUGNOJ-UHFFFAOYSA-N, 2338AA, ANW-64577, MFCD20922770, ZINC76914367, AKOS016006142, FCH1612902, PB30431, KS-000006Q7, AS-34347, OR317091, AB0088709, AJ-122213, AX8235225, ST1070433, TC-153322, AM20070568, CS-0048921, FT-0726777, methyl 2-oxospiro[3.3]heptane-6-carboxylate, C-8226, Methyl 6-oxospiro[3.3]heptane-2-carboxylate, 95%, 6-Oxospiro[3.3]heptane-2-carboxylic acid methyl ester, Spiro[3.3]heptane-2-carboxylic acid, 6-oxo-,methyl ester, C9H12O3,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.192g/mol
Monoisotopic Mass	168.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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