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889940-13-0 | 3,3,3-Trifluoro-2,2-dimethylpropanoic acid
CAS No: 889940-13-0 Catalog No: AG00440D MDL No:MFCD08445819
Product Description
Catalog Number:
AG00440D
Chemical Name:
3,3,3-Trifluoro-2,2-dimethylpropanoic acid
CAS Number:
889940-13-0
Molecular Formula:
C5H7F3O2
Molecular Weight:
156.1031
MDL Number:
MFCD08445819
IUPAC Name:
3,3,3-trifluoro-2,2-dimethylpropanoic acid
InChI:
InChI=1S/C5H7F3O2/c1-4(2,3(9)10)5(6,7)8/h1-2H3,(H,9,10)
InChI Key:
VMFSJVUPIXOCFO-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(F)(F)F)(C)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.104g/mol
Monoisotopic Mass:
156.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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