AG00EF1Q

613-56-9 | 2,2'-Dinaphthyl ketone

AG00EF1Q

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CAS Number	613-56-9
Catalog Number	AG00EF1Q(AGN-PC-0NDA93)
Chemical Name	2,2'-Dinaphthyl ketone
IUPAC Name	dinaphthalen-2-ylmethanone
InChI	InChI=1S/C21H14O/c22-21(19-11-9-15-5-1-3-7-17(15)13-19)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
InChI Key	VLEZVYXNVAHDOI-UHFFFAOYSA-N
MDL Number	MFCD00183496
Molecular Formula	C21H14O
Molecular Weight	282.3353
SMILES	O=C(C1=CC=C2C=CC=CC2=C1)C3=CC=C4C=CC=CC4=C3
Synonyms	2,2'-DINAPHTHYL KETONE, 613-56-9, beta-naphthyl ketone, Dinaphthalen-2-ylmethanone, 2-naphthyl ketone, Di-ss-naphthylketon, di-2-naphthyl ketone, di(2-naphthyl)methanone, Bis(2-naphthyl) ketone, di(naphthalen-2-yl)methanone, SCHEMBL941698, Methanone, di-2-naphthalenyl-, CTK2E1654, DTXSID80449357, VLEZVYXNVAHDOI-UHFFFAOYSA-N, ZINC2556270, MFCD00183496, AKOS016018362, KS-00000T83, AK178451, DS-10175, 2,2'-DINAPHTHYLKETONE, ACN-052966, CID10945915,

Complexity	365
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	282.104g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	282.342g/mol
Monoisotopic Mass	282.104g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.8

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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