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114365-07-0 | Benzamide, 4-(cyanomethyl)-
CAS No: 114365-07-0 Catalog No: AG000B6F MDL No:MFCD08691132
Product Description
Catalog Number:
AG000B6F
Chemical Name:
Benzamide, 4-(cyanomethyl)-
CAS Number:
114365-07-0
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD08691132
IUPAC Name:
4-(cyanomethyl)benzamide
InChI:
InChI=1S/C9H8N2O/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5H2,(H2,11,12)
InChI Key:
KBUKNUOQYOMHHU-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)C(=O)N
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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