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Home > Nitro Compounds > 85-38-1
85-38-1 | 2-Hydroxy-3-nitrobenzoic acid
CAS No: 85-38-1 Catalog No: AG00IDHX MDL No:MFCD00024240
Product Description
Catalog Number:
AG00IDHX
Chemical Name:
2-Hydroxy-3-nitrobenzoic acid
CAS Number:
85-38-1
Molecular Formula:
C7H5NO5
Molecular Weight:
183.1183
MDL Number:
MFCD00024240
IUPAC Name:
2-hydroxy-3-nitrobenzoic acid
InChI:
InChI=1S/C7H5NO5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H,(H,10,11)
InChI Key:
WWWFHFGUOIQNJC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1O)[N+](=O)[O-]
UNII:
47661X4L2C
NSC Number:
182
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.119g/mol
Monoisotopic Mass:
183.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Mitochondrial oxidative stress and nitrate tolerance--comparison of nitroglycerin and pentaerithrityl tetranitrate in Mn-SOD+/- mice. | BMC cardiovascular disorders 20060101 |
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