AG001X05

1669-33-6 | 1-Hexanone, 1-(4-methylphenyl)-

AG001X05

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CAS Number	1669-33-6
Catalog Number	AG001X05(AGN-PC-0KWQ2F)
Chemical Name	1-Hexanone, 1-(4-methylphenyl)-
IUPAC Name	1-(4-methylphenyl)hexan-1-one
InChI	InChI=1S/C13H18O/c1-3-4-5-6-13(14)12-9-7-11(2)8-10-12/h7-10H,3-6H2,1-2H3
InChI Key	OGRXDZGVASXMGD-UHFFFAOYSA-N
MDL Number	MFCD01095840
Molecular Formula	C13H18O
Molecular Weight	190.2814
SMILES	CCCCCC(C1=CC=C(C)C=C1)=O
Synonyms	1-(p-Tolyl)hexan-1-one, 1669-33-6, 1-(4-methylphenyl)hexan-1-one, 1-(4-Methylphenyl)-1-hexanone, AC1MTFW3, SCHEMBL8525199, 1-Hexanone, 1-(4-methylphenyl)-, ZINC5417874, MFCD01095840, SBB056545, AKOS009346648, DS-9378, MCULE-6799213541, AJ-53988, AK158599, AX8292332, ST24037639, ST50973551, CID3574919,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.136g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.286g/mol
Monoisotopic Mass	190.136g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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