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Home Nitriles 2-[hydroxy(phenyl)methyl]prop-2-enenitrile

2-[hydroxy(phenyl)methyl]prop-2-enenitrile

CAS No.:
19362-96-0
Catalog Number:
AG01AAGP
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
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Product Description
Catalog Number:
AG01AAGP
Chemical Name:
2-[hydroxy(phenyl)methyl]prop-2-enenitrile
CAS Number:
19362-96-0
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD11130356
IUPAC Name:
2-[hydroxy(phenyl)methyl]prop-2-enenitrile
InChI:
InChI=1S/C10H9NO/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-6,10,12H,1H2
InChI Key:
SBDMZDGNPLMNDF-UHFFFAOYSA-N
SMILES:
OC(C(=C)C#N)c1ccccc1
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
High selective leishmanicidal activity of 3-hydroxy-2-methylene-3-(4-bromophenyl)propanenitrile and analogous compounds. European journal of medicinal chemistry 20070101
Nitrile biotransformations for the synthesis of enantiomerically enriched Baylis-Hillman adducts. Organic & biomolecular chemistry 20030207
Properties