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Home > Nitro Compounds > 16533-36-1
16533-36-1 | 1,3-Benzenediol, 5-methyl-2-nitro-
CAS No: 16533-36-1 Catalog No: AG001W34 MDL No:
Product Description
Catalog Number:
AG001W34
Chemical Name:
1,3-Benzenediol, 5-methyl-2-nitro-
CAS Number:
16533-36-1
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
IUPAC Name:
5-methyl-2-nitrobenzene-1,3-diol
InChI:
InChI=1S/C7H7NO4/c1-4-2-5(9)7(8(11)12)6(10)3-4/h2-3,9-10H,1H3
InChI Key:
VJUITVCKIWYTQX-UHFFFAOYSA-N
SMILES:
Oc1cc(C)cc(c1[N+](=O)[O-])O
NSC Number:
270419
Properties
Complexity:
167
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:
2.5
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