sales@angenesci.com
Login | Register
logo
Structures Search
Home Aldehydes 3-Cyanobenzaldehyde

3-Cyanobenzaldehyde

CAS No.:
24964-64-5
Catalog Number:
AG002Q0Y
Molecular Formula:
C8H5NO
Molecular Weight:
131.1314
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$32
- +
100g
98%
In Stock USA
United States
$100
- +
500g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG002Q0Y
Chemical Name:
3-Cyanobenzaldehyde
CAS Number:
24964-64-5
Molecular Formula:
C8H5NO
Molecular Weight:
131.1314
MDL Number:
MFCD00003344
IUPAC Name:
3-formylbenzonitrile
InChI:
InChI=1S/C8H5NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H
InChI Key:
HGZJJKZPPMFIBU-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)C#N
EC Number:
246-549-1
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.037g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.134g/mol
Monoisotopic Mass:
131.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
3-(3-Cyano-phen-yl)-N-phenyl-oxirane-2-carboxamide. Acta crystallographica. Section E, Structure reports online 20101001
(E)-1-(3-Cyano-benzyl-idene)thio-semi-carbazide N,N-dimethyl-formamide solvate. Acta crystallographica. Section E, Structure reports online 20100201
3-(1H-Imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzonitrile methanol solvate. Acta crystallographica. Section E, Structure reports online 20100101
3-[(E)-(7-Chloro-4-quinol-yl)hydrazono-meth-yl]benzonitrile monohydrate. Acta crystallographica. Section E, Structure reports online 20091201
A two-dimensional network formed by self-associating silver(I) perchlorate with 3-[4-(2-thienyl)-2H-cyclopenta[d]pyridazin-1-yl]benzonitrile. Acta crystallographica. Section C, Crystal structure communications 20090201
Noncentrosymmetric organic solids with very strong harmonic generation response. Chemistry (Weinheim an der Bergstrasse, Germany) 20040517
Properties