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Home > Fluorides > 100701-49-3
100701-49-3 | Propanedioic acid, 2-fluoro-, 1-ethyl ester
CAS No: 100701-49-3 Catalog No: AG0002O4 MDL No:MFCD20640383
Product Description
Catalog Number:
AG0002O4
Chemical Name:
Propanedioic acid, 2-fluoro-, 1-ethyl ester
CAS Number:
100701-49-3
Molecular Formula:
C5H6FO4-
Molecular Weight:
149.0971
MDL Number:
MFCD20640383
IUPAC Name:
3-ethoxy-2-fluoro-3-oxopropanoic acid
InChI:
InChI=1S/C5H7FO4/c1-2-10-5(9)3(6)4(7)8/h3H,2H2,1H3,(H,7,8)
InChI Key:
MBHUWFBTQONAMA-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C(C(=O)OCC)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:
150.033g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.105g/mol
Monoisotopic Mass:
150.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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