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Home > Nitro Compounds > 101756-38-1
101756-38-1 | Propanedinitrile, 2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylene]-
CAS No: 101756-38-1 Catalog No: AG0005EI MDL No:
Product Description
Catalog Number:
AG0005EI
Chemical Name:
Propanedinitrile, 2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylene]-
CAS Number:
101756-38-1
Molecular Formula:
C11H7N3O4
Molecular Weight:
245.1910
IUPAC Name:
2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanedinitrile
InChI:
InChI=1S/C11H7N3O4/c1-18-10-4-7(2-8(5-12)6-13)3-9(11(10)15)14(16)17/h2-4,15H,1H3
InChI Key:
CWOXUSIEQFFVBX-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cc(OC)c(c(c1)[N+](=O)[O-])O)C#N
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.044g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.194g/mol
Monoisotopic Mass:
245.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Tyrphostins I: synthesis and biological activity of protein tyrosine kinase inhibitors. | Journal of medicinal chemistry 19891001 |
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