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Home > Pyridines > 211616-64-7
211616-64-7 | 2-[hydroxy(pyridin-4-yl)methyl]prop-2-enenitrile
CAS No: 211616-64-7 Catalog No: AG019M19 MDL No:MFCD10657354
Product Description
Catalog Number:
AG019M19
Chemical Name:
2-[hydroxy(pyridin-4-yl)methyl]prop-2-enenitrile
CAS Number:
211616-64-7
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD10657354
IUPAC Name:
2-[hydroxy(pyridin-4-yl)methyl]prop-2-enenitrile
InChI:
InChI=1S/C9H8N2O/c1-7(6-10)9(12)8-2-4-11-5-3-8/h2-5,9,12H,1H2
InChI Key:
QRCHXUGMUUWFOK-UHFFFAOYSA-N
SMILES:
OC(C(=C)C#N)c1ccncc1
Properties
Complexity:
210
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 |
|---|---|
| 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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