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Home > Nitro Compounds > 225237-20-7
225237-20-7 | 2-[hydroxy(2-nitrophenyl)methyl]prop-2-enenitrile
CAS No: 225237-20-7 Catalog No: AG01A84I MDL No:MFCD10487510
Product Description
Catalog Number:
AG01A84I
Chemical Name:
2-[hydroxy(2-nitrophenyl)methyl]prop-2-enenitrile
CAS Number:
225237-20-7
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD10487510
IUPAC Name:
2-[hydroxy-(2-nitrophenyl)methyl]prop-2-enenitrile
InChI:
InChI=1S/C10H8N2O3/c1-7(6-11)10(13)8-4-2-3-5-9(8)12(14)15/h2-5,10,13H,1H2
InChI Key:
ZQZVKSQUPWEOJT-UHFFFAOYSA-N
SMILES:
N#CC(=C)C(c1ccccc1[N+](=O)[O-])O
Properties
Complexity:
312
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 |
|---|---|
| Antimitotic activity on sea urchin embryonic cells of seven antiparasitic Morita-Baylis-Hillman adducts: a potential new class of anticancer drugs. | Medicinal chemistry (Shariqah (United Arab Emirates)) 20121101 |
| Improved synthesis of seven aromatic Baylis-Hillman adducts (BHA): evaluation against Artemia salina Leach. and Leishmania chagasi. | European journal of medicinal chemistry 20090401 |
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