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143698-04-8 | Propanoic acid, 2,2-difluoro-3,3-dihydroxy-, ethyl ester
CAS No: 143698-04-8 Catalog No: AG001I6Z MDL No:
Product Description
Catalog Number:
AG001I6Z
Chemical Name:
Propanoic acid, 2,2-difluoro-3,3-dihydroxy-, ethyl ester
CAS Number:
143698-04-8
Molecular Formula:
C5H8F2O4
Molecular Weight:
170.1114
IUPAC Name:
ethyl 2,2-difluoro-3,3-dihydroxypropanoate
InChI:
InChI=1S/C5H8F2O4/c1-2-11-4(10)5(6,7)3(8)9/h3,8-9H,2H2,1H3
InChI Key:
YWVCCFMHYOCGMQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(O)O)(F)F
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.039g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.112g/mol
Monoisotopic Mass:
170.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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