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23326-27-4 | 2-Butynoic acid, methyl ester
CAS No: 23326-27-4 Catalog No: AG002MW1 MDL No:MFCD00009273
Product Description
Catalog Number:
AG002MW1
Chemical Name:
2-Butynoic acid, methyl ester
CAS Number:
23326-27-4
Molecular Formula:
C5H6O2
Molecular Weight:
98.0999
MDL Number:
MFCD00009273
IUPAC Name:
methyl but-2-ynoate
InChI:
InChI=1S/C5H6O2/c1-3-4-5(6)7-2/h1-2H3
InChI Key:
UJQCANQILFWSDJ-UHFFFAOYSA-N
SMILES:
CC#CC(=O)OC
NSC Number:
244950
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.037g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.101g/mol
Monoisotopic Mass:
98.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes. | Organic & biomolecular chemistry 20121114 |
| Cobalt-catalyzed intermolecular [2 + 2 + 2] cycloaddition for the synthesis of 1,3-cyclohexadienes. | The Journal of organic chemistry 20080704 |
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