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Home > Fluorides > 1233233-76-5
1233233-76-5 | Pentanoic acid, 2,2-difluoro-3-hydroxy-
CAS No: 1233233-76-5 Catalog No: AG000KC2 MDL No:MFCD16749763
Product Description
Catalog Number:
AG000KC2
Chemical Name:
Pentanoic acid, 2,2-difluoro-3-hydroxy-
CAS Number:
1233233-76-5
Molecular Formula:
C5H8F2O3
Molecular Weight:
154.1120
MDL Number:
MFCD16749763
IUPAC Name:
2,2-difluoro-3-hydroxypentanoic acid
InChI:
InChI=1S/C5H8F2O3/c1-2-3(8)5(6,7)4(9)10/h3,8H,2H2,1H3,(H,9,10)
InChI Key:
RLFXUHFTSMNNLS-UHFFFAOYSA-N
SMILES:
CCC(C(C(=O)O)(F)F)O
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.044g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.113g/mol
Monoisotopic Mass:
154.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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