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Home > Pyridines > 211616-63-6
211616-63-6 | 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enenitrile
CAS No: 211616-63-6 Catalog No: AG019M18 MDL No:MFCD10465690
Product Description
Catalog Number:
AG019M18
Chemical Name:
2-[hydroxy(pyridin-3-yl)methyl]prop-2-enenitrile
CAS Number:
211616-63-6
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD10465690
IUPAC Name:
2-[hydroxy(pyridin-3-yl)methyl]prop-2-enenitrile
InChI:
InChI=1S/C9H8N2O/c1-7(5-10)9(12)8-3-2-4-11-6-8/h2-4,6,9,12H,1H2
InChI Key:
JOTLMTYVEFIXPL-UHFFFAOYSA-N
SMILES:
N#CC(=C)C(c1cccnc1)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| 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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