Home Other Building Blocks 5-methyl-2-oxohexanoic acid

5-methyl-2-oxohexanoic acid

CAS No.:
26395-06-2
Catalog Number:
AG01C54Q
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
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Product Description
Catalog Number:
AG01C54Q
Chemical Name:
5-methyl-2-oxohexanoic acid
CAS Number:
26395-06-2
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD19228186
IUPAC Name:
5-methyl-2-oxohexanoic acid
InChI:
InChI=1S/C7H12O3/c1-5(2)3-4-6(8)7(9)10/h5H,3-4H2,1-2H3,(H,9,10)
InChI Key:
CIBNXHHWVVKRDY-UHFFFAOYSA-N
SMILES:
CC(CCC(=O)C(=O)O)C
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties