Home Other Building Blocks 3-(difluoromethyl)-4,4-dimethylpentanoic acid

3-(difluoromethyl)-4,4-dimethylpentanoic acid

CAS No.:
1889667-88-2
Catalog Number:
AG01EKO4
Molecular Formula:
C8H14F2O2
Molecular Weight:
180.1924
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Product Description
Catalog Number:
AG01EKO4
Chemical Name:
3-(difluoromethyl)-4,4-dimethylpentanoic acid
CAS Number:
1889667-88-2
Molecular Formula:
C8H14F2O2
Molecular Weight:
180.1924
MDL Number:
MFCD31666668
IUPAC Name:
3-(difluoromethyl)-4,4-dimethylpentanoic acid
InChI:
InChI=1S/C8H14F2O2/c1-8(2,3)5(7(9)10)4-6(11)12/h5,7H,4H2,1-3H3,(H,11,12)
InChI Key:
JWZUHPNTBNQLSW-UHFFFAOYSA-N
SMILES:
FC(C(C(C)(C)C)CC(=O)O)F
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.096g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.195g/mol
Monoisotopic Mass:
180.096g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties