AG00DAEL

52784-31-3 | 3-PHENYL-CYCLOBUTAN-1-ONE

AG00DAEL

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CAS Number	52784-31-3
Catalog Number	AG00DAEL(AGN-PC-0JMSYH)
Chemical Name	3-PHENYL-CYCLOBUTAN-1-ONE
IUPAC Name	3-phenylcyclobutan-1-one
InChI	InChI=1S/C10H10O/c11-10-6-9(7-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key	BVQSFCUGCAZOJQ-UHFFFAOYSA-N
MDL Number	MFCD04038993
Molecular Formula	C10H10O
Molecular Weight	146.1858
SMILES	O=C1CC(C2=CC=CC=C2)C1
Synonyms	3-Phenylcyclobutanone, 52784-31-3, 3-phenylcyclobutan-1-one, 3-phenyl-cyclobutan-1-one, Cyclobutanone, 3-phenyl-, 3-PHENYL-CYCLOBUTANE-1-ONE, MFCD04038993, 3-phenyl-cyclobutanone, 1-Oxo-3-phenylcyclobutane, AC1L3M6F, SCHEMBL449180, CTK1H1651, KS-00002AIU, DTXSID20200767, BVQSFCUGCAZOJQ-UHFFFAOYSA-N, BCP20138, ZINC2525591, 7465AB, AKOS004115307, MCULE-6796648829, PB26115, PS-5883, QC-3999, AJ-37467, AK105727, DA-05181, SC-35877, SY029843, 3-Phenylcyclobutanone, >=95.0% (HPLC), AB1008913, CS-0054863, FT-0723703, EN300-43628, MFCD04038993 (97%), Q-3285, F8889-3327, Z1245637060, (quinolin-4-ylmethyl)amine, C10H10O, CID142963, ZINC02525591,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.073g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	146.189g/mol
Monoisotopic Mass	146.073g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number