sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Pentanoic acid, 4-oxo-, butyl ester

Pentanoic acid, 4-oxo-, butyl ester

CAS No.:
2052-15-5
Catalog Number:
AG0029XV
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0029XV
Chemical Name:
Pentanoic acid, 4-oxo-, butyl ester
CAS Number:
2052-15-5
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD00009449
IUPAC Name:
butyl 4-oxopentanoate
InChI:
InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3
InChI Key:
ISBWNEKJSSLXOD-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CCC(=O)C
EC Number:
218-143-4
UNII:
OI56208RTB
NSC Number:
78451
FEMA Number:
2207
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Conversion of biomass-derived levulinate and formate esters into γ-valerolactone over supported gold catalysts. ChemSusChem 20111216
Efficient conversion of furfuryl alcohol into alkyl levulinates catalyzed by an organic-inorganic hybrid solid acid catalyst. ChemSusChem 20110117
Properties