AG00360C

695-95-4 | Methyl 3-oxocyclobutanecarboxylate

AG00360C

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CAS Number	695-95-4
Catalog Number	AG00360C(AGN-PC-0001YP)
Chemical Name	Methyl 3-oxocyclobutanecarboxylate
IUPAC Name	methyl 3-oxocyclobutane-1-carboxylate
InChI	InChI=1S/C6H8O3/c1-9-6(8)4-2-5(7)3-4/h4H,2-3H2,1H3
InChI Key	IHLHSAIBOSSHQV-UHFFFAOYSA-N
MDL Number	MFCD00604222
Molecular Formula	C6H8O3
Molecular Weight	128.1259
SMILES	O=C1CC(C1)C(=O)OC
Synonyms	METHYL 3-OXOCYCLOBUTANECARBOXYLATE, 695-95-4, methyl 3-oxocyclobutane-1-carboxylate, Methyl 3-oxo-cyclobutanecarboxylate, 3-METHOXYCARBONYLCYCLOBUTANONE, MFCD00604222, C6H8O3, 3-Oxocyclobutanecarboxylic acid methyl ester, AK-77056, A1-00070, CYCLOBUTANECARBOXYLIC ACID, 3-OXO-, METHYL ESTER, Methyl 3-oxo-cyclobutanecarboxylate;Cyclobutanecarboxylic acid, 3-oxo-, methyl ester, KSC630K4P, SCHEMBL872959, AMCB00021, CTK5D0547, DTXSID00553889, IHLHSAIBOSSHQV-UHFFFAOYSA-N, HT483, methyl 3-oxocyclobutane carboxylate, BCP17549, KS-000000LB, ZX-RL006174, ANW-49081, BBL102687, DT1973, STL556492, ZINC34203349, AKOS006228714, CM14244, CS-W007372, FCH2096406, PB32215, RP08831, AJ-87424, AN-47258, BR-77056, CJ-18236, OR308086, SC-21555, SY012186, TS-01679, AB0026300, AB1011715, AX8165853, CK-06-007, DB-002956, ST1110804, TC-072616, 4CH-009115, AM20070620, FT-0684720, W7934, 695-95-4 methyl 3-oxocyclobutanecarboxylate, MFCD00604222 (97%), 3-oxo-1-cyclobutanecarboxylic acid methyl ester, B-1708, Cyclobutanecarboxylicacid, 3-oxo-, methyl ester, methyl 3-oxidanylidenecyclobutane-1-carboxylate, 695-95-4 Methyl 3-oxocyclobutane-1-carboxylate, 695M954, A836553, J-522207, I14-10691, null, ACN-043554, Methyl 3-oxocyclobutane-1-carboxylate, 97% - 10G 10g,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.047g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	128.127g/mol
Monoisotopic Mass	128.047g/mol
Rotatable Bond Count	2
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 Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number