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Home > Nitro Compounds > 67175-28-4
67175-28-4 | Benzoic acid, 3-hydroxy-2,6-dinitro-
CAS No: 67175-28-4 Catalog No: AG005QHT MDL No:
Product Description
Catalog Number:
AG005QHT
Chemical Name:
Benzoic acid, 3-hydroxy-2,6-dinitro-
CAS Number:
67175-28-4
Molecular Formula:
C7H4N2O7
Molecular Weight:
228.1159
IUPAC Name:
3-hydroxy-2,6-dinitrobenzoic acid
InChI:
InChI=1S/C7H4N2O7/c10-4-2-1-3(8(13)14)5(7(11)12)6(4)9(15)16/h1-2,10H,(H,11,12)
InChI Key:
AHGWZSUEMUEPEF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1C(=O)O)[N+](=O)[O-])O
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.002g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.116g/mol
Monoisotopic Mass:
228.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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