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Home > Nitro Compounds > 5378-76-7
5378-76-7 | 3-Methyl-5-nitrocatechol
CAS No: 5378-76-7 Catalog No: AG01EAC0 MDL No:
Product Description
Catalog Number:
AG01EAC0
Chemical Name:
3-Methyl-5-nitrocatechol
CAS Number:
5378-76-7
IUPAC Name:
3-methyl-5-nitrobenzene-1,2-diol
InChI:
InChI=1S/C7H7NO4/c1-4-2-5(8(11)12)3-6(9)7(4)10/h2-3,9-10H,1H3
InChI Key:
VZDSEMYVKHLPLX-UHFFFAOYSA-N
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
Literature
| Title | Journal |
|---|---|
| Nitrocatechols versus nitrocatecholamines as novel competitive inhibitors of neuronal nitric oxide synthase: lack of the aminoethyl side chain determines loss of tetrahydrobiopterin-antagonizing properties. | Bioorganic & medicinal chemistry letters 20020107 |
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