5-Cyanooxindole

CAT: 0024-sc-299827Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-299827Size:1 g

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CAS Number

61394-50-1

Chemical Information

2-Oxo-2,3-dihydro-1H-indole-5-carbonitrile

CAS Number	61394-50-1
PubChem CID	2773346
IUPAC Name	2-oxo-1,3-dihydroindole-5-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=CC(=C2)C#N)NC1=O

InChI

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

InChIKey

NZOSLRYUVHMXTQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61394-50-1

CID: 2773346

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

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