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7468-67-9 | 2-Cyanobenzaldehyde
CAS No: 7468-67-9 Catalog No: AG003H47 MDL No:MFCD00017503
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 |
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