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4-Cyanobenzaldehyde

Catalog Number
ACM105077
CAS Number
105-07-7
Product Name
4-Cyanobenzaldehyde
Structure
Category
Liquid Crystal (LC) Building Blocks
IUPAC Name
4-formylbenzonitrile
Molecular Weight
131.13g/mol
Molecular Formula
C8H5NO
Canonical SMILES
C1=CC(=CC=C1C=O)C#N
InChI
InChI=1S/C8H5NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H
InChI Key
WZWIQYMTQZCSKI-UHFFFAOYSA-N
Melting Point
100.5 °C
Complexity
159
Covalently-Bonded Unit Count
1
EC Number
203-267-3
Exact Mass
131.037114g/mol
Formal Charge
0
Heavy Atom Count
10
MeSH Entry Terms
4-cyanobenzaldehyde
Monoisotopic Mass
131.037114g/mol
NSC Number
5091
Rotatable Bond Count
1
UNII
DWH62Y9TCA
XLogP3
1.2
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