6-Cyanooxindole

CAT: 0024-sc-300008Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-300008Size:500 mg

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CAS Number

199327-63-4

Chemical Information

2-Oxindole-6-carbonitrile

CAS Number	199327-63-4
PubChem CID	2773348
IUPAC Name	2-oxo-1,3-dihydroindole-6-carbonitrile
Molecular Formula	C9H6N2O
Molecular Weight	158.16
XLogP	0.9
Topological Polar Surface Area	52.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	252

SMILES

C1C2=C(C=C(C=C2)C#N)NC1=O

InChI

InChI=1S/C9H6N2O/c10-5-6-1-2-7-4-9(12)11-8(7)3-6/h1-3H,4H2,(H,11,12)

InChIKey

NDVUETYYXRFYKO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 199327-63-4

CID: 2773348

Formula: C9H6N2O

MW: 158.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.16
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	158.048012819
Monoisotopic Mass	158.048012819
Topological Polar Surface Area	52.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	252
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-300081A	7-Cyanooxindole
sc-299827	5-Cyanooxindole
sc-300081	7-Cyanooxindole
sc-299827A	5-Cyanooxindole
sc-217334	6-Cyanoindole
sc-297805	1-BOC-6-cyanoindole
sc-297805A	1-BOC-6-cyanoindole
sc-262798A	6-Bromo-3-cyanoindole
sc-262798	6-Bromo-3-cyanoindole
sc-287095A	1-BOC-6-cyanoindole-2-boronic acid

Catalog	Name
OR10428-01	7-Cyanooxindole
OR10426	5-Cyanooxindole
GC4378-1mg	Methyl 6,6'',6''''-trideoxy-6,6'',6''''-triiodo-β-D-cellotrioside
BICL2356-01	Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellohexaoside
GC3568-5mg	Methyl 6,6'',6''''-trideoxy-6,6'',6''''-triiodo-β-D-cellohexaoside
BICL2357-01	Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellotrioside
AAA76464-01	6,6,6-Trifluorohexanoic acid
H211306	Hexanenitrile-6,6,6-d3
JH339811	6,6,6-trideuteriohexanoic acid
TRC-S697002-5MG	Sucrose-1,1,6,6,6’,6’-d6