3-Cyanoacetylindole

CAT: 0024-sc-209584Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-209584Size:1 g

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CAS Number

20356-45-0

Chemical Information

3-(Cyanoacetyl)indole

CAS Number	20356-45-0
PubChem CID	2453568
IUPAC Name	3-(1H-indol-3-yl)-3-oxopropanenitrile
Molecular Formula	C11H8N2O
Molecular Weight	184.19
XLogP	1.9
Topological Polar Surface Area	56.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	278

SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)CC#N

InChI

InChI=1S/C11H8N2O/c12-6-5-11(14)9-7-13-10-4-2-1-3-8(9)10/h1-4,7,13H,5H2

InChIKey

KSKBLDDGNWKWKN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20356-45-0

CID: 2453568

Formula: C11H8N2O

MW: 184.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.19
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	184.063662883
Monoisotopic Mass	184.063662883
Topological Polar Surface Area	56.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	278
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-260433A	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
sc-260433	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
sc-261128A	3,3,3-Trifluoropropionaldehyde
sc-261129	3,3,3-Trifluoropropionitrile
sc-347307A	3,3,3-trifluoropropanamide
sc-474290	3,3,3-Trimethoxypropanenitrile
sc-261128	3,3,3-Trifluoropropionaldehyde
sc-261132	3,3,3-Trifluoropropylamine
sc-347308A	3,3,3-trifluoropropanehydrazide
sc-347307	3,3,3-trifluoropropanamide

Catalog	Name
MBS6052438-01	3-Cyanoacetylindole
WWB91739	1-Boc-6-bromo-3-cyanoacetylindole
WWB91741	1-Boc-7-bromo-3-cyanoacetylindole
WWB91734	1-Boc-4-bromo-3-cyanoacetylindole
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
NU-456L	3',3',3'-cAAG
JMB17199-01	3,3,3-Trifluoropropanehydrazide
PC4452-01	3,3,3-Trifluoropropylmethyldimethoxysilane
PC4603-01	3,3,3-Trifluoropropylamine
OR1043029-01	3,3',3''-Nitrilotripropanamide