Products for Research Use Only
RegisterLogin

3-Cyanophenylacetone

CAT: 0926-FC65985-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FC65985-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
73013-50-0
MDL Number
MFCD03410447
Smiles
CC (=O) CC1=CC (=CC=C1) C#N
Molecular Formula
C10H9NO
Molecular Weight
159.18 g/mol
Controlled
No

Chemical Information

3-(2-Oxopropyl)benzonitrile
CAS Number73013-50-0
PubChem CID13354959
IUPAC Name3-(2-oxopropyl)benzonitrile
Molecular FormulaC10H9NO
Molecular Weight159.18
XLogP1.3
Topological Polar Surface Area40.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity213
SMILES
CC(=O)CC1=CC(=CC=C1)C#N
InChI
InChI=1S/C10H9NO/c1-8(12)5-9-3-2-4-10(6-9)7-11/h2-4,6H,5H2,1H3
InChIKey
XECXKMQLEFHQHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Oxopropyl)benzonitrile
CAS: 73013-50-0
CID: 13354959
Formula: C10H9NO
MW: 159.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.18
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass159.068413911
Monoisotopic Mass159.068413911
Topological Polar Surface Area40.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity213
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BAA52841Ethyl 4-cyanophenylacetate
PDC53711-013- (3,3,3-Trifluoropropoxy) piperidine
QMC01729-013- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-013- (3,3,3-Trifluoropropyl) aniline
QPA428343,3,3-Trifluoropropanethioamide
JMB17199-013,3,3-Trifluoropropanehydrazide
QDC45219-013- (3-Chloropropanoyl) -1- (3,3,3-trifluoropropyl) urea
RXB09628-01Methyl 3- (3,3-difluorocyclobutyl) -3-oxopropanoate
PID25565-013- (3,3,3-Trifluoropropyl) azetidine hydrochloride
VWB01274-013-[ (3,3,3-Trifluoropropyl) amino]propanenitrile

Alternative Products

CatalogName
PC68253,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
sc-260433A3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
426796-013,3,3-Trifluoroalanine
sc-261128A3,3,3-Trifluoropropionaldehyde
OR1060769-013,3',3''-Phosphanetriyltriphenol
PC4553-013,3,3-Trifluoropropanenitrile
NU-456L3',3',3'-cAAG
sc-2611293,3,3-Trifluoropropionitrile
PC1007482-013,3,3-Trifluoropropanehydrazide
PC4452-013,3,3-Trifluoropropylmethyldimethoxysilane

Popular Products