AG00DD18

5447-87-0 | 2-(1-Phenylethylidene)malononitrile

AG00DD18

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CAS Number	5447-87-0
Catalog Number	AG00DD18(AGN-PC-0JLS2E)
Chemical Name	2-(1-Phenylethylidene)malononitrile
IUPAC Name	2-(1-phenylethylidene)propanedinitrile
InChI	InChI=1S/C11H8N2/c1-9(11(7-12)8-13)10-5-3-2-4-6-10/h2-6H,1H3
InChI Key	ZVOMMPYHGITOEF-UHFFFAOYSA-N
MDL Number	MFCD00159012
Molecular Formula	C11H8N2
Molecular Weight	168.1946
NSC Number	17554
SMILES	N#CC(C#N)=C(C1(=CC=CC=C1))C
Synonyms	2-(1-Phenylethylidene)malononitrile, 5447-87-0, 1,1-Dicyano-2-phenylpropene, Propanedinitrile, (1-phenylethylidene)-, (1-Phenylethylidene)malononitrile, Propanedinitrile, 2-(1-phenylethylidene)-, Malononitrile, (.alpha.-methylbenzylidene)-, .alpha.-Methylbenzalmalononitrile, .alpha.-Methylbenzylidenemalononitrile, 2-(1-phenylethylidene)propanedinitrile, AK123888, 1-phenylethylidenemalononitrile, (phenylethylidene)methane-1,1-dicarbonitrile, alpha-Methylbenzalmalononitrile, alpha-Methylbenzylidenemalononitrile, 10432-42-5, NSC17554, NSC 17554, Enamine_001063, AI3-16815, phenylethylidenemalononitrile, AC1L2XL0, malononitrile, A-methylbenzal, SCHEMBL178769, AC1Q1J33, DTXSID7063895, CTK5A1219, KS-00000MDT, ZVOMMPYHGITOEF-UHFFFAOYSA-N, HMS1397A07, ZINC134383, (1-phenylethylidene)propanedinitrile, 1-dicyano-2-methyl-2-phenylethylene, 5341AE, alpha-Methyl-beta,beta-dicyanostyrene, MFCD00159012, NSC-17554, SBB088184, STK410879, AKOS000506067, 2-(1-Phenyl-ethylidene)-malononitrile, 2-(1-Phenylethylidene)malononitrile #, BBV-181973, FCH3196960, MCULE-4215602694, RP10433, 2-(1-phenyl-ethylidene)-propanedinitrile, AJ-12223, BAS 00022618, Propanedinitrile,2-(1-phenylethylidene)-, ZB004711, UPCMLD0ENAT0503-7384:001, TR-019267, FT-0680218, ST50298962, Malononitrile, (alpha-methylbenzylidene)- (8CI), 2R-0229, C-55840, J-505405, I14-27242, 2- malononitrile, C11H8N2, KST-1B5621, CID79530, AR-1B4570, C11-H8-N2, 5617-92-5,

Complexity	284
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.069g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.199g/mol
Monoisotopic Mass	168.069g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H317-H319
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number