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Home > Nitro Compounds > 129273-49-0
129273-49-0 | Benzoic acid, 2,4,6-trihydroxy-3-nitro-
CAS No: 129273-49-0 Catalog No: AG000Z0O MDL No:
Product Description
Catalog Number:
AG000Z0O
Chemical Name:
Benzoic acid, 2,4,6-trihydroxy-3-nitro-
CAS Number:
129273-49-0
Molecular Formula:
C7H5NO7
Molecular Weight:
215.1171
IUPAC Name:
2,4,6-trihydroxy-3-nitrobenzoic acid
InChI:
InChI=1S/C7H5NO7/c9-2-1-3(10)5(8(14)15)6(11)4(2)7(12)13/h1,9-11H,(H,12,13)
InChI Key:
QMJBWKQRDLDAGV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(O)cc(c(c1O)C(=O)O)O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
215.117g/mol
Monoisotopic Mass:
215.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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