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Home > Nitro Compounds > 89684-59-3
89684-59-3 | 1,2,4-Benzenetriol, 3-nitro-
CAS No: 89684-59-3 Catalog No: AG00439Q MDL No:
Product Description
Catalog Number:
AG00439Q
Chemical Name:
1,2,4-Benzenetriol, 3-nitro-
CAS Number:
89684-59-3
Molecular Formula:
C6H5NO5
Molecular Weight:
171.1076
IUPAC Name:
3-nitrobenzene-1,2,4-triol
InChI:
InChI=1S/C6H5NO5/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,8-10H
InChI Key:
PZAHFKBKZUKMIS-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1O)[N+](=O)[O-])O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
171.108g/mol
Monoisotopic Mass:
171.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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