AG003QVO

6697-12-7 | n-Hexadecanophenone

AG003QVO

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CAS Number	6697-12-7
Catalog Number	AG003QVO(AGN-PC-0JLT33)
Chemical Name	n-Hexadecanophenone
IUPAC Name	1-phenylhexadecan-1-one
InChI	InChI=1S/C22H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(23)21-18-15-14-16-19-21/h14-16,18-19H,2-13,17,20H2,1H3
InChI Key	IIOLAWJMOGLOIB-UHFFFAOYSA-N
MDL Number	MFCD00008997
Molecular Formula	C22H36O
Molecular Weight	316.5206
NSC Number	167420
SMILES	CCCCCCCCCCCCCCCC(C1=CC=CC=C1)=O
Synonyms	Hexadecanophenone, n-Hexadecanophenone, 6697-12-7, 1-phenylhexadecan-1-one, Pentadecyl phenyl ketone, Palmitophenone, 1-Phenyl-1-hexadecanone, 1-Hexadecanone, 1-phenyl-, NSC167420, Hexadecanophenone, 99%, ACMC-2097jy, 1-Phenyl-1-hexadecanone #, 1-Butoxy-2,5-Epoxypropane, SCHEMBL963796, AC1L30T3, AC1Q5F57, 4-(4-Hydroxyphenyl)butyricacid, CTK8A8954, DTXSID50217181, IIOLAWJMOGLOIB-UHFFFAOYSA-N, ZINC6845920, ANW-14060, MFCD00008997, AKOS015912979, NSC-167420, DB-054977, TC-102805, FT-0636239, A19084, C-28204, I14-47519, CID81194, AR-1C5183, 4-(4-HYDROXYPHENYL)BUTANOIC ACID, H0590, 7021-11-6,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	316.277g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	316.529g/mol
Monoisotopic Mass	316.277g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number