AG003DVK

502-73-8 | 16-Hentriacontanone

AG003DVK

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CAS Number	502-73-8
Catalog Number	AG003DVK(AGN-PC-0JM0UI)
Chemical Name	16-Hentriacontanone
EC Number	207-952-8
IUPAC Name	hentriacontan-16-one
InChI	InChI=1S/C31H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChI Key	UNRFDARCMOHDBJ-UHFFFAOYSA-N
MDL Number	MFCD00059222
Molecular Formula	C31H62O
Molecular Weight	450.8234
NSC Number	953
SMILES	CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)=O
UNII	GR7I8IC3NO
Synonyms	16-hentriacontane, palmitone, 16-Hentriacontanone, Palmitone, Hentriacontan-16-one, Dipentadecyl ketone, 502-73-8, Pentadecyl ketone, Hentricontan-16-one, HEBTRIACONTANONE, UNII-GR7I8IC3NO, 16-HEBTRIACONTANONE, NSC 953, GR7I8IC3NO, NSC953, UNRFDARCMOHDBJ-UHFFFAOYSA-N, EINECS 207-952-8, AI3-22025, ACMC-1AU7I, AC1L3ST0, SCHEMBL352951, CHEBI:5658, CTK1H0612, DTXSID00198239, NSC-953, ZINC8221066, ANW-30948, LMFA12000005, MFCD00059222, SBB061344, AKOS024390969, MCULE-1539628749, TC-119693, FT-0736780, ST51047368, C08379, C-46470, I14-101307, C31H62O, CID94741, C31-H62-O, H0423,

Complexity	316
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	450.48g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	450.836g/mol
Monoisotopic Mass	450.48g/mol
Rotatable Bond Count	28
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	14.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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