Home Other Building Blocks Hexanoic acid, 4-oxo-, methyl ester

Hexanoic acid, 4-oxo-, methyl ester

CAS No.:
2955-62-6
Catalog Number:
AG002YQ0
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
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Product Description
Catalog Number:
AG002YQ0
Chemical Name:
Hexanoic acid, 4-oxo-, methyl ester
CAS Number:
2955-62-6
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD00069010
IUPAC Name:
methyl 4-oxohexanoate
InChI:
InChI=1S/C7H12O3/c1-3-6(8)4-5-7(9)10-2/h3-5H2,1-2H3
InChI Key:
FOGHPENQGFYWSI-UHFFFAOYSA-N
SMILES:
CCC(=O)CCC(=O)OC
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties