Home Other Building Blocks Acetic acid 3-buten-1-yl ester

Acetic acid 3-buten-1-yl ester

CAS No.:
1576-84-7
Catalog Number:
AG001PJU
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$138
- +
5g
1 week
United States
$309
- +
10g
1 week
United States
$537
- +
Product Description
Catalog Number:
AG001PJU
Chemical Name:
Acetic acid 3-buten-1-yl ester
CAS Number:
1576-84-7
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD00086596
IUPAC Name:
but-3-enyl acetate
InChI:
InChI=1S/C6H10O2/c1-3-4-5-8-6(2)7/h3H,1,4-5H2,2H3
InChI Key:
IEKXSSZASGLISC-UHFFFAOYSA-N
SMILES:
CC(=O)OCCC=C
NSC Number:
157648
Properties
Complexity:
86.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Palladium(II)-catalyzed asymmetric cyclization of (Z)-4'-acetoxy-2'-butenyl 2-alkynoates. Role of nitrogen-containing ligands in palladium(II)-mediated reactions. The Journal of organic chemistry 20011116
Properties