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Home Aldehydes 2-Cyanobenzaldehyde

2-Cyanobenzaldehyde

CAS No.:
7468-67-9
Catalog Number:
AG003H47
Molecular Formula:
C8H5NO
Molecular Weight:
131.1314
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$17
- +
25g
98%
In Stock USA
United States
$57
- +
100g
98%
In Stock USA
United States
$107
- +
500g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG003H47
Chemical Name:
2-Cyanobenzaldehyde
CAS Number:
7468-67-9
Molecular Formula:
C8H5NO
Molecular Weight:
131.1314
MDL Number:
MFCD00017503
IUPAC Name:
2-formylbenzonitrile
InChI:
InChI=1S/C8H5NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,6H
InChI Key:
QVTPWONEVZJCCS-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C=O
NSC Number:
400131
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:
1.1  
Literature
Title Journal
Diastereoselective one-pot tandem synthesis of 3-substituted isoindolinones: a mechanistic investigation. The Journal of organic chemistry 20100903
2-Formylbenzonitrile. Acta crystallographica. Section C, Crystal structure communications 20060601
Properties