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Methyl Epoxycrotonate

CAT: 0024-sc-470999Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-470999Size:50 mg
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CAS Number
2980-48-5

Chemical Information

Methyl 3-methyloxirane-2-carboxylate
CAS Number2980-48-5
PubChem CID547678
IUPAC Namemethyl 3-methyloxirane-2-carboxylate
Molecular FormulaC5H8O3
Molecular Weight116.11
XLogP0.2
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity110
SMILES
CC1C(O1)C(=O)OC
InChI
InChI=1S/C5H8O3/c1-3-4(8-3)5(6)7-2/h3-4H,1-2H3
InChIKey
UZVPEDADFDGCGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-methyloxirane-2-carboxylate
CAS: 2980-48-5
CID: 547678
Formula: C5H8O3
MW: 116.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight116.11
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass116.047344113
Monoisotopic Mass116.047344113
Topological Polar Surface Area38.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes