Home Other Building Blocks Hexanoic acid, 3,3-dimethyl-5-oxo-

Hexanoic acid, 3,3-dimethyl-5-oxo-

CAS No.:
20624-63-9
Catalog Number:
AG002IDD
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
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Product Description
Catalog Number:
AG002IDD
Chemical Name:
Hexanoic acid, 3,3-dimethyl-5-oxo-
CAS Number:
20624-63-9
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD00129139
IUPAC Name:
3,3-dimethyl-5-oxohexanoic acid
InChI:
InChI=1S/C8H14O3/c1-6(9)4-8(2,3)5-7(10)11/h4-5H2,1-3H3,(H,10,11)
InChI Key:
SLBXWQKHHZUDAY-UHFFFAOYSA-N
SMILES:
CC(=O)CC(CC(=O)O)(C)C
Properties
Complexity:
170  
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:
4  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties