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Home > Nitro Compounds > 205375-84-4
205375-84-4 | 1,2-Benzenediol, 4-methyl-3-nitro-
CAS No: 205375-84-4 Catalog No: AG002A1X MDL No:
Product Description
Catalog Number:
AG002A1X
Chemical Name:
1,2-Benzenediol, 4-methyl-3-nitro-
CAS Number:
205375-84-4
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
IUPAC Name:
4-methyl-3-nitrobenzene-1,2-diol
InChI:
InChI=1S/C7H7NO4/c1-4-2-3-5(9)7(10)6(4)8(11)12/h2-3,9-10H,1H3
InChI Key:
JNHOFPQUTOBFOM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)ccc(c1O)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:
1.9
Literature
| Title | Journal |
|---|---|
| Methyl-nitrocatechols: atmospheric tracer compounds for biomass burning secondary organic aerosols. | Environmental science & technology 20101115 |
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