AG003EMP

6683-92-7 | 1-Phenylpentan-2-one

AG003EMP

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CAS Number	6683-92-7
Catalog Number	AG003EMP(AGN-PC-0JLT30)
Chemical Name	1-Phenylpentan-2-one
EC Number	229-726-8
IUPAC Name	1-phenylpentan-2-one
InChI	InChI=1S/C11H14O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
InChI Key	NFKAWBGFIMBUMB-UHFFFAOYSA-N
MDL Number	MFCD00027142
Molecular Formula	C11H14O
Molecular Weight	162.2283
SMILES	CCCC(CC1=CC=CC=C1)=O
UNII	36VW7X5C4P
Synonyms	1-Phenylpentan-2-one, 1-Phenyl-2-pentanone, 6683-92-7, 2-Pentanone, 1-phenyl-, UNII-36VW7X5C4P, 36VW7X5C4P, NFKAWBGFIMBUMB-UHFFFAOYSA-N, Benzyl propyl ketone, 1-phenylpentanone, n-Butylphenylketone, Propyl-benzyl-keton, benzyl-propyl-ketone, EINECS 229-726-8, 1-phenyl-pentan-2-one, AI3-24761, AC1Q2UFJ, AC1L30SU, BENZYL-n-PROPYL KETONE, SCHEMBL107900, AC1Q5H24, CTK2F8649, DTXSID70216954, ZINC2166564, MFCD00027142, AKOS010016483, DS-6354, MCULE-4001455569, NE20185, TRA0038763, VZ21624, AJ-33786, AK113874, CJ-33322, U242, DB-054968, FT-0636235, ST24038182, EN300-64980, 683P927, A835562, I14-112657, Z1259086940, Valerophenone, C11H14O, CID81188, AR-1C5342, C11-H14-O, 68160-64-5,

Complexity	134
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.104g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	162.232g/mol
Monoisotopic Mass	162.104g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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