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5-methyloctanoic acid

CAS No.:
60218-42-0
Catalog Number:
AG019ZTV
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
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Product Description
Catalog Number:
AG019ZTV
Chemical Name:
5-methyloctanoic acid
CAS Number:
60218-42-0
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD02258712
IUPAC Name:
5-methyloctanoic acid
InChI:
InChI=1S/C9H18O2/c1-3-5-8(2)6-4-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChI Key:
GTKYBNNWJGLBNE-UHFFFAOYSA-N
SMILES:
CCCC(CCCC(=O)O)C
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties