Home Other Building Blocks 2,3-dimethylpentanoic acid

2,3-dimethylpentanoic acid

CAS No.:
82608-03-5
Catalog Number:
AG01A5JB
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
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Product Description
Catalog Number:
AG01A5JB
Chemical Name:
2,3-dimethylpentanoic acid
CAS Number:
82608-03-5
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
MDL Number:
MFCD02258586
IUPAC Name:
2,3-dimethylpentanoic acid
InChI:
InChI=1S/C7H14O2/c1-4-5(2)6(3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)
InChI Key:
LBUDVZDSWKZABS-UHFFFAOYSA-N
SMILES:
CCC(C(C(=O)O)C)C
Properties
Complexity:
99.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties