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14447-01-9 | 2-Propynoic acid, phenylmethyl ester
CAS No: 14447-01-9 Catalog No: AG001JMA MDL No:MFCD11976128
Product Description
Catalog Number:
AG001JMA
Chemical Name:
2-Propynoic acid, phenylmethyl ester
CAS Number:
14447-01-9
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
MDL Number:
MFCD11976128
IUPAC Name:
benzyl prop-2-ynoate
InChI:
InChI=1S/C10H8O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h1,3-7H,8H2
InChI Key:
KCSLTHXLCZSZLB-UHFFFAOYSA-N
SMILES:
C#CC(=O)OCc1ccccc1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.172g/mol
Monoisotopic Mass:
160.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Green chemistry strategies using crystal-to-crystal photoreactions: stereoselective synthesis and decarbonylation of trans-alpha,alpha'-dialkenoylcyclohexanones. | Journal of the American Chemical Society 20050608 |
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