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877-14-5 | 2,5-Cyclohexadiene-1,4-dione, 2,3,5-trifluoro-6-hydroxy-
CAS No: 877-14-5 Catalog No: AG004JCO MDL No:
Product Description
Catalog Number:
AG004JCO
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,3,5-trifluoro-6-hydroxy-
CAS Number:
877-14-5
Molecular Formula:
C6HF3O3
Molecular Weight:
178.0655
IUPAC Name:
3,4,6-trifluoro-5-hydroxycyclohexa-3,5-diene-1,2-dione
InChI:
InChI=1S/C6HF3O3/c7-1-2(8)5(11)6(12)3(9)4(1)10/h10H
InChI Key:
GLUJWFUQCUMIGK-UHFFFAOYSA-N
SMILES:
O=C1C(=C(F)C(=O)C(=C1F)F)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.988g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.066g/mol
Monoisotopic Mass:
177.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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