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Home Other Building Blocks Methyl 2-butynoate

Methyl 2-butynoate

CAS No.:
23326-27-4
Catalog Number:
AG002MW1
Molecular Formula:
C5H6O2
Molecular Weight:
98.0999
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$73
- +
5g
98%
In Stock USA
United States
$187
- +
25g
98%
In Stock USA
United States
$600
- +
100g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG002MW1
Chemical Name:
Methyl 2-butynoate
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
Properties