AG008U46

1081559-36-5 | 3-Oxocyclobutyl benzoate

AG008U46

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CAS Number	1081559-36-5
Catalog Number	AG008U46(AGN-PC-0WA8X7)
Chemical Name	3-Oxocyclobutyl benzoate
IUPAC Name	(3-oxocyclobutyl) benzoate
InChI	InChI=1S/C11H10O3/c12-9-6-10(7-9)14-11(13)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChI Key	FDNDPGDWTKCCPF-UHFFFAOYSA-N
MDL Number	MFCD16140376
Molecular Formula	C11H10O3
Molecular Weight	190.1953
SMILES	O=C(OC1CC(=O)C1)C1=CC=CC=C1
Synonyms	3-Oxocyclobutyl benzoate, 1081559-36-5, W-204656, Cyclobutanone, 3-(benzoyloxy)-, 3-Oxocyclobutylbenzoate, SCHEMBL15193256, CTK4A5889, DTXSID70676711, FDNDPGDWTKCCPF-UHFFFAOYSA-N, KS-000004HV, ANW-55065, FCH925181, MFCD16140376, ZINC44830680, 3-Oxocyclobutyl benzoate, AldrichCPR, AKOS006336508, OC-0458, RP07371, SB11778, AK-76506, AS-34012, OR316059, AB0039513, AJ-110137, AX8222493, TC-069289, CS-0051227, FT-0685883, Y6991, K-0596, J-513014, C11H10O3,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.063g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.198g/mol
Monoisotopic Mass	190.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

Lot Number