Home Other Building Blocks 4-methyl-6-oxoheptanoic acid

4-methyl-6-oxoheptanoic acid

CAS No.:
58447-40-8
Catalog Number:
AG01B6MW
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
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Product Description
Catalog Number:
AG01B6MW
Chemical Name:
4-methyl-6-oxoheptanoic acid
CAS Number:
58447-40-8
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD20638823
IUPAC Name:
4-methyl-6-oxoheptanoic acid
InChI:
InChI=1S/C8H14O3/c1-6(5-7(2)9)3-4-8(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChI Key:
OMUNJJPUXKRNCU-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(CC(=O)C)C
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties