Home Other Building Blocks 3-methyl-6-oxoheptanoic acid

3-methyl-6-oxoheptanoic acid

CAS No.:
67135-96-0
Catalog Number:
AG01BV0E
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
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Product Description
Catalog Number:
AG01BV0E
Chemical Name:
3-methyl-6-oxoheptanoic acid
CAS Number:
67135-96-0
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD20638822
IUPAC Name:
3-methyl-6-oxoheptanoic acid
InChI:
InChI=1S/C8H14O3/c1-6(5-8(10)11)3-4-7(2)9/h6H,3-5H2,1-2H3,(H,10,11)
InChI Key:
BHXGHANBRHMKPN-UHFFFAOYSA-N
SMILES:
CC(=O)CCC(CC(=O)O)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