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Methyl 2-Pentenoate

CAT: 0572-TRC-M338563-2.5GSize: 2.5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-M338563-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15790-88-2
Hazard Statement
Flammable liquid and vapour; UN number: UN1993; Packing Group: III
Purity
>95% (GC)
Smiles
CC/C=C/C(=O)OC
Molecular Formula
C6H10O2
Molecular Weight
114.14
InChI
InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h4-5H,3H2,1-2H3/b5-4+
Additionnal Information
IUPAC name: methyl (E)-pent-2-enoate

Chemical Information

Methyl 2-pentenoate
CAS Number15790-88-2
PubChem CID5364718
IUPAC Namemethyl (E)-pent-2-enoate
Molecular FormulaC6H10O2
Molecular Weight114.14
XLogP1.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity94
SMILES
CC/C=C/C(=O)OC
InChI
InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h4-5H,3H2,1-2H3/b5-4+
InChIKey
MBAHGFJTIVZLFB-SNAWJCMRSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-pentenoate
CAS: 15790-88-2
CID: 5364718
Formula: C6H10O2
MW: 114.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.14
XLogP31.4
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
sc-286220Methyl 2-pentenoate
FM168945-01Methyl 4-methyl-2-pentenoate
J-640420-01Methyl trans-2-pentenoate
sc-228578Methyl trans-2-methyl-2-pentenoate
418652-012-Methyl (E) -2-Methyl-2-pentenoate
sc-234936Ethyl 2-methyl-4-pentenoate
sc-235738Methyl 3-pentenoate
sc-253030Methyl 4-pentenoate
HY-W127411-01Methyl trans-3-Pentenoate
sc-255300Methyl trans-4-oxo-2-pentenoate

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