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14447-18-8 | Acetic acid, 2-cyano-, phenylmethyl ester
CAS No: 14447-18-8 Catalog No: AG001JM4 MDL No:MFCD00051719
Product Description
Catalog Number:
AG001JM4
Chemical Name:
Acetic acid, 2-cyano-, phenylmethyl ester
CAS Number:
14447-18-8
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00051719
IUPAC Name:
benzyl 2-cyanoacetate
InChI:
InChI=1S/C10H9NO2/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5H,6,8H2
InChI Key:
RCUIWQWWDLZNMS-UHFFFAOYSA-N
SMILES:
N#CCC(=O)OCc1ccccc1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Decarboxylative benzylation and arylation of nitriles. | Chemical communications (Cambridge, England) 20120104 |
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