AG003GL5

5682-83-7 | 2-Benzylidenecyclohexanone

AG003GL5

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CAS Number	5682-83-7
Catalog Number	AG003GL5(AGN-PC-0JM3BI)
Chemical Name	2-Benzylidenecyclohexanone
EC Number	227-144-9
IUPAC Name	2-benzylidenecyclohexan-1-one
InChI	InChI=1S/C13H14O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChI Key	VCDPHYIZVFJQCD-UHFFFAOYSA-N
MDL Number	MFCD00070483
Molecular Formula	C13H14O
Molecular Weight	186.2497
SMILES	O=C1/C(CCCC1)=C\C2=CC=CC=C2
Synonyms	2-Benzylidenecyclohexanone, 5682-83-7, 2-Benzyliden-Cyclohexanone, 2-Benzylidenecyclohexan-1-one, (Z)-2-benzylidenecyclohexanone, 2-(phenylmethylene)cyclohexanone, benzylidenecyclohexanone, 2-benzylidene-cyclohexanone, AC1L40IT, ACMC-1C20W, Benzylidencyclohexanone; 98%, CTK5A5757, 2-phenylmethylenecyclohexan-1-one, VCDPHYIZVFJQCD-UHFFFAOYSA-N, Cyclohexanone,2-(phenylmethylene)-, ANW-32585, AKOS030229153, MCULE-1216184869, VZ23829, KS-0000136X, DB-020558, FT-0611311, Cyclohexanone, 2-benzylidene-, CID98926, EINECS 227-144-9, C13-H14-O, Cyclohexanone, 2-(phenylmethylene)-, NSC145677, NSC 145677, A8123,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.104g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.254g/mol
Monoisotopic Mass	186.104g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	1
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number