AG003DSJ

622-21-9 | 1,9-Diphenyl-1,3,6,8-nonatetraen-5-one

AG003DSJ

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CAS Number	622-21-9
Catalog Number	AG003DSJ(AGN-PC-036DW7)
Chemical Name	1,9-Diphenyl-1,3,6,8-nonatetraen-5-one
EC Number	210-724-0
IUPAC Name	(1E,3E,6E,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
InChI	InChI=1S/C21H18O/c22-21(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-18H/b15-7+,16-8+,17-9+,18-10+
InChI Key	RLJALOQFYHCJKG-FVRNMFRHSA-N
MDL Number	MFCD00004792
Molecular Formula	C21H18O
Molecular Weight	286.3670
SMILES	O=C(/C=C/C=C/C1=CC=CC=C1)/C=C/C=C/C2=CC=CC=C2
Synonyms	Dicinnamalacetone, 1,9-Diphenyl-1,3,6,8-nonatetraen-5-one, 622-21-9, 1,9-Diphenyl-1,3,6,8-nonatetraen-5-one, 97+%, 1,3,6,8-Nonatetraen-5-one, 1,9-diphenyl-, (1E,3E,6E,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one, Dicinnamylideneacetone, MFCD00004792, C21H18O, AC1NTCMQ, Dicinnamalacetone, 98%, SCHEMBL243733, CHEMBL388544, DTXSID8060747, RLJALOQFYHCJKG-FVRNMFRHSA-N, ZINC1693354, 6600AF, AKOS003404847, CC-03549, CJ-28307, ST078028, RT-004175, TL8004065, D0900, AN-651/43278282, C-18041, I14-46967, (1E,3E,6E,8E)-1,9-Diphenyl-1,3,6,8-nonatetraen-5-one #, 153788-49-9, InChI=1/C21H18O/c22-21(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-18H/b15-7+,16-8+,17-9+,18-10, Acetone, dicinnamylidene-, NSC 6245, EINECS 210-724-0, C21-H18-O, CID5378259, 1,9-Diphenylnona-1,3,6,8-tetraen-5-one, AI3-63083,

Complexity	387
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Exact Mass	286.136g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	286.374g/mol
Monoisotopic Mass	286.136g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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