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137186-60-8 | Propanedioic acid, 2-fluoro-, 1-(phenylmethyl) ester
CAS No: 137186-60-8 Catalog No: AG0012WX MDL No:
Product Description
Catalog Number:
AG0012WX
Chemical Name:
Propanedioic acid, 2-fluoro-, 1-(phenylmethyl) ester
CAS Number:
137186-60-8
Molecular Formula:
C10H8FO4-
Molecular Weight:
211.1665
IUPAC Name:
2-fluoro-3-oxo-3-phenylmethoxypropanoate
InChI:
InChI=1S/C10H9FO4/c11-8(9(12)13)10(14)15-6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/p-1
InChI Key:
PVAZVBVIWJGNJA-UHFFFAOYSA-M
SMILES:
FC(C(=O)OCc1ccccc1)C(=O)[O-]
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.041g/mol
Formal Charge:
-1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.168g/mol
Monoisotopic Mass:
211.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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