AG003GL3

946-33-8 | 2-Benzylcyclohexanone

AG003GL3

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CAS Number	946-33-8
Catalog Number	AG003GL3(AGN-PC-0JM3BV)
Chemical Name	2-Benzylcyclohexanone
EC Number	213-420-6
IUPAC Name	2-benzylcyclohexan-1-one
InChI	InChI=1S/C13H16O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChI Key	CUYLPYBYCYQGCE-UHFFFAOYSA-N
MDL Number	MFCD00051455
Molecular Formula	C13H16O
Molecular Weight	188.2655
NSC Number	149930
SMILES	C(C1C(=O)CCCC1)c1ccccc1
Synonyms	2-Benzylcyclohexanone, 946-33-8, 2-Benzylcyclohexan-1-one, Cyclohexanone, 2-(phenylmethyl)-, CUYLPYBYCYQGCE-UHFFFAOYSA-N, MFCD00051455, EINECS 213-420-6, NSC149930, 2-benzyl cyclohexanone, 2-benzyl-cyclohexan-1-one, AC1L40JB, AC1Q6EP0, AC1Q6EP1, SCHEMBL4595, 2-(phenylmethyl)cyclohexanone, 2-Benzylcyclohexanone, >=97%, CTK5H6891, Cyclohexanone,2-(phenylmethyl)-, (2RS)-2-phenylmethylcyclohexanone, AKOS005207035, MCULE-4917479100, NSC-149930, VZ23827, DB-057515, TR-029565, FT-0604483, ST50407924, I14-20939, CID98945, C13-H16-O,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.12g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.27g/mol
Monoisotopic Mass	188.12g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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