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88942-60-3 | Propanedioic acid, fluoro(3-oxobutyl)-, dimethyl ester
CAS No: 88942-60-3 Catalog No: AG0048DV MDL No:
Product Description
Catalog Number:
AG0048DV
Chemical Name:
Propanedioic acid, fluoro(3-oxobutyl)-, dimethyl ester
CAS Number:
88942-60-3
Molecular Formula:
C9H13FO5
Molecular Weight:
220.1949
IUPAC Name:
dimethyl 2-fluoro-2-(3-oxobutyl)propanedioate
InChI:
InChI=1S/C9H13FO5/c1-6(11)4-5-9(10,7(12)14-2)8(13)15-3/h4-5H2,1-3H3
InChI Key:
RPLYMYHZOIKARN-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)(CCC(=O)C)F
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.196g/mol
Monoisotopic Mass:
220.075g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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