AG0033GU

1080-74-6 | 3-(Dicyanomethylidene)indan-1-one

AG0033GU

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CAS Number	1080-74-6
Catalog Number	AG0033GU(AGN-PC-0KRX8R)
Chemical Name	3-(Dicyanomethylidene)indan-1-one
IUPAC Name	2-(3-oxoinden-1-ylidene)propanedinitrile
InChI	InChI=1S/C12H6N2O/c13-6-8(7-14)11-5-12(15)10-4-2-1-3-9(10)11/h1-4H,5H2
InChI Key	QNVKZKOSAXYVFZ-UHFFFAOYSA-N
MDL Number	MFCD00143117
Molecular Formula	C12H6N2O
Molecular Weight	194.1888
SMILES	C(#N)C(=C1CC(C2=CC=CC=C12)=O)C#N
Synonyms	1080-74-6, 3-(Dicyanomethylidene)indan-1-one, 2-(3-Oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile, QNVKZKOSAXYVFZ-UHFFFAOYSA-N, Propanedinitrile, (2,3-dihydro-3-oxo-1H-inden-1-ylidene)-, AC1MMYEN, 2-(3-oxoinden-1-ylidene)propanedinitrile, ACMC-1BRFV, SCHEMBL806906, 3-(dicyanomethylene)indan-1-one, CTK0G2832, KS-00000NBC, 3-(Dicyanomethylene)-1-indanone, DTXSID20391144, 3-(Dicyanomethlidene)indan-1-one, ZINC393161, 3-(Dicyanomethilidene)indan-1-one, ANW-15888, MFCD00143117, AKOS003604340, MCULE-4471077436, 2-(3-oxo-1-indenylidene)propanedinitrile, AK305415, DS-12121, ZB012235, TC-104633, D2054, FT-0690398, 2-(3-oxidanylideneinden-1-ylidene)propanedinitrile, A801722, C-56304, (3-oxo-2,3-dihydro-1H-inden-1-ylidene)propanedinitrile, 2-(3-Oxo-2,3-dihydro-1H -inden-1-ylidene)malononitrile, 2-(3-oxo-2,3-dihydro-1H-inden-1-ylidene)-malononitrile, propanedinitrile, 2-(2,3-dihydro-3-oxo-1H-inden-1-ylidene)-, 3-Dicycanovinylindan-1-one, CID3293617, 3-(Dicyanomethylidene)indan-1-one, 98% - 1G 1g, 1075-38-3,

Complexity	411
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.048g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.193g/mol
Monoisotopic Mass	194.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2811

Certificate of Analysis

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