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Home > Nitro Compounds > 99936-93-3
99936-93-3 | 3-methyl-4-nitrobenzene-1,2-diol
CAS No: 99936-93-3 Catalog No: AG01EILV MDL No:MFCD29090792
Product Description
Catalog Number:
AG01EILV
Chemical Name:
3-methyl-4-nitrobenzene-1,2-diol
CAS Number:
99936-93-3
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
MDL Number:
MFCD29090792
IUPAC Name:
3-methyl-4-nitrobenzene-1,2-diol
InChI:
InChI=1S/C7H7NO4/c1-4-5(8(11)12)2-3-6(9)7(4)10/h2-3,9-10H,1H3
InChI Key:
IDTXJDQVEWSWDD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1C)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:
169.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.136g/mol
Monoisotopic Mass:
169.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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