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Home > Nitro Compounds > 127489-24-1
127489-24-1 | 2-[hydroxy(4-nitrophenyl)methyl]prop-2-enenitrile
CAS No: 127489-24-1 Catalog No: AG01A8DS MDL No:MFCD09030957
Product Description
Catalog Number:
AG01A8DS
Chemical Name:
2-[hydroxy(4-nitrophenyl)methyl]prop-2-enenitrile
CAS Number:
127489-24-1
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD09030957
IUPAC Name:
2-[hydroxy-(4-nitrophenyl)methyl]prop-2-enenitrile
InChI:
InChI=1S/C10H8N2O3/c1-7(6-11)10(13)8-2-4-9(5-3-8)12(14)15/h2-5,10,13H,1H2
InChI Key:
KSSHQPCVMZULSQ-UHFFFAOYSA-N
SMILES:
OC(C(=C)C#N)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| 3-Hydroxy-2-methylene-3-(4-nitrophenylpropanenitrile): A new highly active compound against epimastigote and trypomastigote form of Trypanosoma cruzi. | Bioorganic chemistry 20101001 |
| Improved synthesis of seven aromatic Baylis-Hillman adducts (BHA): evaluation against Artemia salina Leach. and Leishmania chagasi. | European journal of medicinal chemistry 20090401 |
| High selective leishmanicidal activity of 3-hydroxy-2-methylene-3-(4-bromophenyl)propanenitrile and analogous compounds. | European journal of medicinal chemistry 20070101 |
| Baylis-Hillman adducts with molluscicidal activity against Biomphalaria glabrata. | Pest management science 20060301 |
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