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Benzyl propiolate

CAS No.:
14447-01-9
Catalog Number:
AG001JMA
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$349
- +
1g
95%
1 week
United States
$817
- +
5g
95%
1 week
United States
$2374
- +
Product Description
Catalog Number:
AG001JMA
Chemical Name:
Benzyl propiolate
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
Properties