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Home > Nitro Compounds > 13722-96-8
13722-96-8 | Benzoic acid, 2,4-dihydroxy-5-nitro-
CAS No: 13722-96-8 Catalog No: AG0012YK MDL No:MFCD08693128
Product Description
Catalog Number:
AG0012YK
Chemical Name:
Benzoic acid, 2,4-dihydroxy-5-nitro-
CAS Number:
13722-96-8
Molecular Formula:
C7H5NO6
Molecular Weight:
199.1177
MDL Number:
MFCD08693128
IUPAC Name:
2,4-dihydroxy-5-nitrobenzoic acid
InChI:
InChI=1S/C7H5NO6/c9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/h1-2,9-10H,(H,11,12)
InChI Key:
DVHFWKCHUQZGSF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C(=O)O)c(cc1O)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:
1.7
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