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Vinyl Crotonate

CAT: 0024-sc-486981Size: 25 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-486981Size:25 mL
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CAS Number
14861-06-4

Chemical Information

Vinyl crotonate

See also: Malethamer (monomer of).

CAS Number14861-06-4
PubChem CID5365800
IUPAC Nameethenyl (E)-but-2-enoate
Molecular FormulaC6H8O2
Molecular Weight112.13
XLogP1.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity114
SMILES
C/C=C/C(=O)OC=C
InChI
InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h3-5H,2H2,1H3/b5-3+
InChIKey
IYNRVIKPUTZSOR-HWKANZROSA-N
Chemical Structure
2D Structure
2D structure of Vinyl crotonate
CAS: 14861-06-4
CID: 5365800
Formula: C6H8O2
MW: 112.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight112.13
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass112.052429494
Monoisotopic Mass112.052429494
Topological Polar Surface Area26.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity114
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes