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Home > Nitro Compounds > 84211-30-3
84211-30-3 | Benzoic acid, 3,4-dihydroxy-5-nitro-
CAS No: 84211-30-3 Catalog No: AG004ORM MDL No:MFCD00872080
Product Description
Catalog Number:
AG004ORM
Chemical Name:
Benzoic acid, 3,4-dihydroxy-5-nitro-
CAS Number:
84211-30-3
Molecular Formula:
C7H5NO6
Molecular Weight:
199.1177
MDL Number:
MFCD00872080
IUPAC Name:
3,4-dihydroxy-5-nitrobenzoic acid
InChI:
InChI=1S/C7H5NO6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H,(H,11,12)
InChI Key:
HDPSONAKHMNQPA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1O)O)C(=O)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
199.118g/mol
Monoisotopic Mass:
199.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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