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Home > Nitro Compounds > 6946-15-2
6946-15-2 | 3-Hydroxy-4-methyl-2-nitrobenzoic acid
CAS No: 6946-15-2 Catalog No: AG003JJU MDL No:MFCD00007106
Product Description
Catalog Number:
AG003JJU
Chemical Name:
3-Hydroxy-4-methyl-2-nitrobenzoic acid
CAS Number:
6946-15-2
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD00007106
IUPAC Name:
3-hydroxy-4-methyl-2-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO5/c1-4-2-3-5(8(11)12)6(7(4)10)9(13)14/h2-3,10H,1H3,(H,11,12)
InChI Key:
HEKGHQKEERXLOI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(ccc(c1O)C)C(=O)O
EC Number:
230-105-9
NSC Number:
53198
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.146g/mol
Monoisotopic Mass:
197.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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