AG002BUG

198995-91-4 | Cyclobutanecarboxylic acid, 3-oxo-, phenylmethyl ester

AG002BUG

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CAS Number	198995-91-4
Catalog Number	AG002BUG(AGN-PC-0NKZ98)
Chemical Name	Cyclobutanecarboxylic acid, 3-oxo-, phenylmethyl ester
IUPAC Name	benzyl 3-oxocyclobutane-1-carboxylate
InChI	InChI=1S/C12H12O3/c13-11-6-10(7-11)12(14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChI Key	OPGPYIKNRCXNQY-UHFFFAOYSA-N
MDL Number	MFCD11848894
Molecular Formula	C12H12O3
Molecular Weight	204.2219
SMILES	O=C(C1CC(C1)=O)OCC2=CC=CC=C2
Synonyms	Benzyl 3-Oxocyclobutanecarboxylate, 198995-91-4, benzyl 3-oxocyclobutane-1-carboxylate, Cyclobutanecarboxylic acid, 3-oxo-, phenylmethyl ester, 3-OXO-CYCLOBUTANECARBOXYLIC ACID BENZYL ESTER, MFCD11848894, 3-Oxocyclobutane-1-carboxylic acid benzyl ester, SCHEMBL795756, CTK0E0527, DTXSID60578694, OPGPYIKNRCXNQY-UHFFFAOYSA-N, CS-M3453, ANW-47323, ZINC34750448, AKOS015899351, PB10945, RL02488, TRA0051325, 3-oxocyclobutane carboxylic benzyl ester, KS-0000034Z, AJ-90056, AK-75635, AS-31636, BR-75635, CJ-18554, SC-14718, SY011053, 3-oxocyclobutanecarboxylic acid benzyl ester, AB0023204, ST2406681, TC-136068, FT-0759036, W4214, S-3750, MFCD11848894 (95+%), A814051, M112222, A1-00430, J-519792, I14-12208, (phenylmethyl) 3-oxidanylidenecyclobutane-1-carboxylate, 3-oxo-1-cyclobutanecarboxylic acid (phenylmethyl) ester, STOCK, C12H12O3, 128117-22-6,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.079g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.225g/mol
Monoisotopic Mass	204.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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