AG002C2D

199327-63-4 | 1H-Indole-6-carbonitrile, 2,3-dihydro-2-oxo-

AG002C2D

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CAS Number	199327-63-4
Catalog Number	AG002C2D(AGN-PC-0KKVDE)
Chemical Name	1H-Indole-6-carbonitrile, 2,3-dihydro-2-oxo-
IUPAC Name	2-oxo-1,3-dihydroindole-6-carbonitrile
InChI	InChI=1S/C9H6N2O/c10-5-6-1-2-7-4-9(12)11-8(7)3-6/h1-3H,4H2,(H,11,12)
InChI Key	NDVUETYYXRFYKO-UHFFFAOYSA-N
MDL Number	MFCD02179606
Molecular Formula	C9H6N2O
Molecular Weight	158.1567
SMILES	N#CC1=CC2=C(C=C1)CC(N2)=O
Synonyms	6-Cyanooxindole, 199327-63-4, 2-oxoindoline-6-carbonitrile, 6-Cyano-2-oxindole, 2-Oxo-2,3-dihydro-1H-indole-6-carbonitrile, 2-oxo-1,3-dihydroindole-6-carbonitrile, PubChem8932, AC1MCMTG, 1H-Indole-6-carbonitrile, 2,3-dihydro-2-oxo-, 2-Oxo-6-indolinecarbonitrile, ACMC-209f44, SCHEMBL1795090, CTK4E2769, KS-00003KTG, DTXSID40378396, NDVUETYYXRFYKO-UHFFFAOYSA-N, 6-cyano-1,3-dihydro-indol-2-one, ZINC2577875, ANW-23858, CC-087, MFCD02179606, SBB066697, AKOS006230623, AB11389, AC-3339, FS-3577, RP02013, RTR-009267, AJ-42701, AK-94634, AM807144, AN-13085, BL003636, CJ-10152, SC-02188, SY004440, AB0040525, AB1000115, ST2410190, TR-009267, 4CH-015475, FT-0657920, Y8144, 2,3-Dihydro-2-oxo-1H-indole-6-carbonitrile, 1H-Indole-6-carbonitrile,2,3-dihydro-2-oxo-, B-7705, MFCD02179606 (97+%), 2-oxidanylidene-1,3-dihydroindole-6-carbonitrile, A814091, W-206472, Z1741980021, null, C9H6N2O, 2-Oxo-2H-indole-6-carbonitrile, ZINC02577875, CID2773348,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.048g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.16g/mol
Monoisotopic Mass	158.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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