Home Other Building Blocks 5,5-dimethyl-2-oxohexanoic acid

5,5-dimethyl-2-oxohexanoic acid

CAS No.:
107872-85-5
Catalog Number:
AG01BHPR
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
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Product Description
Catalog Number:
AG01BHPR
Chemical Name:
5,5-dimethyl-2-oxohexanoic acid
CAS Number:
107872-85-5
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD20639673
IUPAC Name:
5,5-dimethyl-2-oxohexanoic acid
InChI:
InChI=1S/C8H14O3/c1-8(2,3)5-4-6(9)7(10)11/h4-5H2,1-3H3,(H,10,11)
InChI Key:
XOBCNMHHIDUDSZ-UHFFFAOYSA-N
SMILES:
O=C(C(=O)O)CCC(C)(C)C
Properties
Complexity:
165  
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:
1.7  
Properties