Home Other Building Blocks 3-ethyl-4-methylpentanoic acid

3-ethyl-4-methylpentanoic acid

CAS No.:
60308-89-6
Catalog Number:
AG01AB23
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
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Product Description
Catalog Number:
AG01AB23
Chemical Name:
3-ethyl-4-methylpentanoic acid
CAS Number:
60308-89-6
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
MDL Number:
MFCD02258644
IUPAC Name:
3-ethyl-4-methylpentanoic acid
InChI:
InChI=1S/C8H16O2/c1-4-7(6(2)3)5-8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)
InChI Key:
JOTRMYCCALXLNJ-UHFFFAOYSA-N
SMILES:
CCC(C(C)C)CC(=O)O
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.115g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
144.214g/mol
Monoisotopic Mass:
144.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties