AG003TG5

6786-36-3 | n-Octadecanophenone

AG003TG5

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CAS Number	6786-36-3
Catalog Number	AG003TG5(AGN-PC-0JLT48)
Chemical Name	n-Octadecanophenone
EC Number	229-850-2
IUPAC Name	1-phenyloctadecan-1-one
InChI	InChI=1S/C24H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3
InChI Key	DBLXXVQTWJFJFI-UHFFFAOYSA-N
MDL Number	MFCD00010700
Molecular Formula	C24H40O
Molecular Weight	344.5738
NSC Number	57587
SMILES	CCCCCCCCCCCCCCCCCC(C1=CC=CC=C1)=O
Synonyms	Octadecanophenone, Stearophenone, 6786-36-3, 1-Phenyloctadecan-1-one, n-Octadecanophenone, MFCD00010700, NSC57587, EINECS 229-850-2, Heptadecyl Phenyl Ketone, Octadecanophenone, 98%, AC1L30WX, Octadecanophenone, >=99%, 1-Octadecanone, 1-phenyl-, 1-Phenyl-1-octadecanone #, NCIOpen2_007544, SCHEMBL962630, ACMC-209o18, AC1Q5F59, CTK2F4716, DTXSID20218100, DBLXXVQTWJFJFI-UHFFFAOYSA-N, ZINC6920443, ANW-35418, NSC-57587, AKOS015913022, MCULE-9144045203, SC-65865, DB-055072, TC-124163, FT-0636258, O0185, C-20459, I14-47523, CID81244, AR-1L5608, C24-H40-O, 68479-00-5,

Complexity	291
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	344.308g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	344.583g/mol
Monoisotopic Mass	344.308g/mol
Rotatable Bond Count	17
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	10

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