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Ethyl 3-butenoate

CAS No.:
1617-18-1
Catalog Number:
AG001VTM
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$100
- +
1g
95%
In Stock USA
United States
$250
- +
5g
95%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG001VTM
Chemical Name:
Ethyl 3-butenoate
CAS Number:
1617-18-1
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD07779251
IUPAC Name:
ethyl but-3-enoate
InChI:
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3H,1,4-5H2,2H3
InChI Key:
BFMKFCLXZSUVPI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC=C
EC Number:
918-692-6
NSC Number:
44507
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
Synthesis and herbicidal activity of diphenyl ether derivatives containing unsaturated carboxylates. Journal of agricultural and food chemistry 20111109
Synthesis and evaluation of the cytotoxicity of apoptolidinones A and D. The Journal of organic chemistry 20080704
Properties