AG003TKT

4669-04-9 | PEntadecanophenone

AG003TKT

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CAS Number	4669-04-9
Catalog Number	AG003TKT(AGN-PC-0JNVBN)
Chemical Name	PEntadecanophenone
IUPAC Name	1-phenylpentadecan-1-one
InChI	InChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-21(22)20-17-14-13-15-18-20/h13-15,17-18H,2-12,16,19H2,1H3
InChI Key	SDNCECLJQYEDRK-UHFFFAOYSA-N
MDL Number	MFCD20257914
Molecular Formula	C21H34O
Molecular Weight	302.4941
NSC Number	88948
SMILES	CCCCCCCCCCCCCCC(=O)C1=CC=CC=C1
Synonyms	Pentadecanophenone, 4669-04-9, 1-phenylpentadecan-1-one, Pentadecanophene, NSC88948, Phenyl Tetradecyl Ketone, AC1L60OA, SCHEMBL965308, ACMC-2097g4, AC1Q5F56, CTK4I9519, DTXSID90293368, SDNCECLJQYEDRK-UHFFFAOYSA-N, ANW-13922, MFCD20257914, NSC-88948, ZINC80480452, N-(4-Bromophenyl)-3-chloroacetamide, TC-102667, P1903, AR-1K9890, CID259220, 74595-62-3,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	302.261g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	302.502g/mol
Monoisotopic Mass	302.261g/mol
Rotatable Bond Count	14
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number