AG003DVV

504-53-0 | 18-Pentatriacontanone

AG003DVV

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CAS Number	504-53-0
Catalog Number	AG003DVV(AGN-PC-0JK9JZ)
Chemical Name	18-Pentatriacontanone
EC Number	207-993-1
IUPAC Name	pentatriacontan-18-one
InChI	InChI=1S/C35H70O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(36)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
InChI Key	DMCJFWXGXUEHFD-UHFFFAOYSA-N
MDL Number	MFCD00048491
Molecular Formula	C35H70O
Molecular Weight	506.9297
NSC Number	83612
SMILES	CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)=O
UNII	7IN8GA6M68
Synonyms	18-PENTATRIACONTANONE, 504-53-0, Stearone, pentatriacontan-18-one, Heptadecyl ketone, Diheptadecyl ketone, Di-n-heptadecyl ketone, UNII-7IN8GA6M68, 7IN8GA6M68, DMCJFWXGXUEHFD-UHFFFAOYSA-N, MFCD00048491, stearon, Stearyl ketone, Di-stearyl ketone, C35H70O, EINECS 207-993-1, NSC 83612, Ketone, diheptadecyl-, ACMC-1ASRL, AI3-15184, AC1L1V7B, SCHEMBL29091, DTXSID2060125, CTK1G9908, NSC83612, 6959AF, ANW-31009, DI-n-HEPTADECYL KETONE, PRACT, NSC-83612, AKOS015913448, ZINC100017776, MCULE-6790736802, AN-21442, DB-051778, TC-119754, FT-0632242, P1290, C-50554, I14-47024, Pentatriacontan- 18- one, CID10440, C35-H70-O,

Complexity	365
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	506.543g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	506.944g/mol
Monoisotopic Mass	506.543g/mol
Rotatable Bond Count	32
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	16.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319
Precuationary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Siginal words

Certificate of Analysis

Lot Number