sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 4-Oxobutanoic acid methyl ester

4-Oxobutanoic acid methyl ester

CAS No.:
13865-19-5
Catalog Number:
AG003643
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
90%
In Stock USA
United States
$88
- +
1g
90%
In Stock USA
United States
$207
- +
5g
90%
In Stock USA
United States
$719
- +
Product Description
Catalog Number:
AG003643
Chemical Name:
4-Oxobutanoic acid methyl ester
CAS Number:
13865-19-5
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
MDL Number:
MFCD00082185
IUPAC Name:
methyl 4-oxobutanoate
InChI:
InChI=1S/C5H8O3/c1-8-5(7)3-2-4-6/h4H,2-3H2,1H3
InChI Key:
DLZVZNAPRCRXEG-UHFFFAOYSA-N
SMILES:
COC(=O)CCC=O
EC Number:
237-611-9
Properties
Complexity:
87.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.047g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.116g/mol
Monoisotopic Mass:
116.047g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
Title Journal
Asymmetric copper(I)-catalyzed Henry reaction with an aminoindanol-derived bisoxazolidine ligand. Organic letters 20091015
Organocatalytic and enantioselective synthesis of beta-(hydroxyalkyl)-gamma-butyrolactones. The Journal of organic chemistry 20080516
Properties