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162152-90-1

162152-90-1 | Benzamide, 4-hydroxy-3-nitroso-

CAS No: 162152-90-1 Catalog No: AG001STN MDL No:

Product Description

Catalog Number:
AG001STN
Chemical Name:
Benzamide, 4-hydroxy-3-nitroso-
CAS Number:
162152-90-1
Molecular Formula:
C7H6N2O3
Molecular Weight:
166.1341
IUPAC Name:
4-hydroxy-3-nitrosobenzamide
InChI:
InChI=1S/C7H6N2O3/c8-7(11)4-1-2-6(10)5(3-4)9-12/h1-3,10H,(H2,8,11)
InChI Key:
GUWUNALKOAAXJC-UHFFFAOYSA-N
SMILES:
O=Nc1cc(ccc1O)C(=O)N

Properties

Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.136g/mol
Monoisotopic Mass:
166.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

Literature

Title Journal
Substrate specificity of benzamide synthetase involved in 4-hydroxy-3-nitrosobenzamide biosynthesis. The Journal of antibiotics 20110101
A copper-containing oxidase catalyzes C-nitrosation in nitrosobenzamide biosynthesis. Nature chemical biology 20100901

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