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1617-18-1 | 3-Butenoic acid, ethyl ester
CAS No: 1617-18-1 Catalog No: AG001VTM MDL No:MFCD07779251
Product Description
Catalog Number:
AG001VTM
Chemical Name:
3-Butenoic acid, ethyl ester
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 |
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