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Methyl 2-Butynoate

CAT: 0572-TRC-M313745-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M313745-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23326-27-4
Synonyms
Methyl 3-methylpropiolate; Methyl methylacetylenecarboxylate;Methyl methylpropiolate; Methyl tetrolateNSC 244950;
Hazard Statement
No Data Available
Smiles
COC(=O)C#CC
Molecular Formula
C5H6O2
Molecular Weight
98.1
Shipping Conditions
Room Temperature

Chemical Information

Methyl but-2-ynoate
CAS Number23326-27-4
PubChem CID141019
IUPAC Namemethyl but-2-ynoate
Molecular FormulaC5H6O2
Molecular Weight98.10
XLogP1.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity124
SMILES
CC#CC(=O)OC
InChI
InChI=1S/C5H6O2/c1-3-4-5(6)7-2/h1-2H3
InChIKey
UJQCANQILFWSDJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl but-2-ynoate
CAS: 23326-27-4
CID: 141019
Formula: C5H6O2
MW: 98.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight98.10
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass98.036779430
Monoisotopic Mass98.036779430
Topological Polar Surface Area26.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity124
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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