Benzonitrile, 5-formyl-2-methyl-


Chemical Name: Benzonitrile, 5-formyl-2-methyl-
CAS Number: 27613-36-1
Product Number: AG002U97(AGN-PC-01RI28)
Synonyms:
MDL No:
Molecular Formula: C9H7NO
Molecular Weight: 145.1580

Identification/Properties


Computed Properties
Molecular Weight:
145.161g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
145.053g/mol
Monoisotopic Mass:
145.053g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
191
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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