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88942-67-0

88942-67-0 | Cyclohexanecarboxylic acid, 1-fluoro-2,4-dioxo-6-phenyl-, methyl ester

CAS No: 88942-67-0 Catalog No: AG0047ZB MDL No:

Product Description

Catalog Number:
AG0047ZB
Chemical Name:
Cyclohexanecarboxylic acid, 1-fluoro-2,4-dioxo-6-phenyl-, methyl ester
CAS Number:
88942-67-0
Molecular Formula:
C14H13FO4
Molecular Weight:
264.2490
IUPAC Name:
methyl 1-fluoro-2,4-dioxo-6-phenylcyclohexane-1-carboxylate
InChI:
InChI=1S/C14H13FO4/c1-19-13(18)14(15)11(7-10(16)8-12(14)17)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChI Key:
SVEGYOLQMRQGMC-UHFFFAOYSA-N
SMILES:
COC(=O)C1(F)C(=O)CC(=O)CC1c1ccccc1

Properties

Complexity:
400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.08g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.252g/mol
Monoisotopic Mass:
264.08g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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