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88942-63-6 | Propanedioic acid, fluoro(3-oxocyclohexyl)-, dimethyl ester
CAS No: 88942-63-6 Catalog No: AG0047ZD MDL No:
Product Description
Catalog Number:
AG0047ZD
Chemical Name:
Propanedioic acid, fluoro(3-oxocyclohexyl)-, dimethyl ester
CAS Number:
88942-63-6
Molecular Formula:
C11H15FO5
Molecular Weight:
246.2322
IUPAC Name:
dimethyl 2-fluoro-2-(3-oxocyclohexyl)propanedioate
InChI:
InChI=1S/C11H15FO5/c1-16-9(14)11(12,10(15)17-2)7-4-3-5-8(13)6-7/h7H,3-6H2,1-2H3
InChI Key:
VVQIOZKUNIIORR-UHFFFAOYSA-N
SMILES:
COC(=O)C(C1CCCC(=O)C1)(C(=O)OC)F
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.234g/mol
Monoisotopic Mass:
246.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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