Home Other Building Blocks 2,2,4-trimethylpentanoic acid

2,2,4-trimethylpentanoic acid

CAS No.:
866-72-8
Catalog Number:
AG019YUN
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
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Product Description
Catalog Number:
AG019YUN
Chemical Name:
2,2,4-trimethylpentanoic acid
CAS Number:
866-72-8
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
MDL Number:
MFCD06208507
IUPAC Name:
2,2,4-trimethylpentanoic acid
InChI:
InChI=1S/C8H16O2/c1-6(2)5-8(3,4)7(9)10/h6H,5H2,1-4H3,(H,9,10)
InChI Key:
NHBUGGCJRMEOCC-UHFFFAOYSA-N
SMILES:
CC(CC(C(=O)O)(C)C)C
Properties
Complexity:
125  
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:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties