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1578-70-7 | CYCLOHEXANECARBOXYLIC ACID, 1-FLUORO-2-OXO-, ETHYL ESTER
CAS No: 1578-70-7 Catalog No: AG001PPV MDL No:MFCD01076477
Product Description
Catalog Number:
AG001PPV
Chemical Name:
CYCLOHEXANECARBOXYLIC ACID, 1-FLUORO-2-OXO-, ETHYL ESTER
CAS Number:
1578-70-7
Molecular Formula:
C9H13FO3
Molecular Weight:
188.1961
MDL Number:
MFCD01076477
IUPAC Name:
ethyl 1-fluoro-2-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C9H13FO3/c1-2-13-8(12)9(10)6-4-3-5-7(9)11/h2-6H2,1H3
InChI Key:
WBRNDLRGLOAFCQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(F)CCCCC1=O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.198g/mol
Monoisotopic Mass:
188.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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