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Home > Nitro Compounds > 116313-73-6
116313-73-6 | Propanedinitrile, 2-[(3,4-dihydroxy-5-nitrophenyl)methylene]-
CAS No: 116313-73-6 Catalog No: AG000C5X MDL No:
Product Description
Catalog Number:
AG000C5X
Chemical Name:
Propanedinitrile, 2-[(3,4-dihydroxy-5-nitrophenyl)methylene]-
CAS Number:
116313-73-6
Molecular Formula:
C10H5N3O4
Molecular Weight:
231.1644
IUPAC Name:
2-[(3,4-dihydroxy-5-nitrophenyl)methylidene]propanedinitrile
InChI:
InChI=1S/C10H5N3O4/c11-4-7(5-12)1-6-2-8(13(16)17)10(15)9(14)3-6/h1-3,14-15H
InChI Key:
KUXOYSZHUFZKHN-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cc(O)c(c(c1)[N+](=O)[O-])O)C#N
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.167g/mol
Monoisotopic Mass:
231.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| S-adenosylmethionine-dependent protein methylation in mammalian cytosol via tyrphostin modification by catechol-O-methyltransferase. | The Journal of biological chemistry 20071019 |
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