Home Other Building Blocks Hexanoic acid, 5-methyl-2,4-dioxo-, methyl ester

Hexanoic acid, 5-methyl-2,4-dioxo-, methyl ester

CAS No.:
20577-64-4
Catalog Number:
AG002ACM
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002ACM
Chemical Name:
Hexanoic acid, 5-methyl-2,4-dioxo-, methyl ester
CAS Number:
20577-64-4
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD00817560
IUPAC Name:
methyl 5-methyl-2,4-dioxohexanoate
InChI:
InChI=1S/C8H12O4/c1-5(2)6(9)4-7(10)8(11)12-3/h5H,4H2,1-3H3
InChI Key:
ISJSONREVGCKRE-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)CC(=O)C(C)C
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties