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Methyl trans-3-Pentenoate

CAT: 0013-GTR19245253-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19245253-01Size:100 mg
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Description
Methyl trans-3-Pentenoate is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
20515-19-9
Smiles
C/C=C/CC (=O) OC
Molecular Formula
C6H10O2
Molecular Weight
114.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl pent-3-enoate
CAS Number20515-19-9
PubChem CID642274
IUPAC Namemethyl (E)-pent-3-enoate
Molecular FormulaC6H10O2
Molecular Weight114.14
XLogP1.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity94
SMILES
C/C=C/CC(=O)OC
InChI
InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h3-4H,5H2,1-2H3/b4-3+
InChIKey
KJALUUCEMMPKAC-ONEGZZNKSA-N
Chemical Structure
2D Structure
2D structure of Methyl pent-3-enoate
CAS: 20515-19-9
CID: 642274
Formula: C6H10O2
MW: 114.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.14
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass114.068079557
Monoisotopic Mass114.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity94.7
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

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Alternative Products

CatalogName
HY-W127411-01Methyl trans-3-Pentenoate
J-640420-01Methyl trans-2-pentenoate
sc-228578Methyl trans-2-methyl-2-pentenoate
sc-235738Methyl 3-pentenoate
sc-255300Methyl trans-4-oxo-2-pentenoate
283681-01Methyl (E) -3-pentenoate
OR951842-01Methyl 3- (trimethylsilyl) -4-pentenoate
sc-487684Methyl 3,3-Dimethyl-4-pentenoate
sc-286220Methyl 2-pentenoate
sc-253030Methyl 4-pentenoate

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