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Home > Fluorides > 113844-59-0
113844-59-0 | 2,4-Heptadienoic acid, 7,7,7-trifluoro-2-hydroxy-6-oxo-
CAS No: 113844-59-0 Catalog No: AG0009UX MDL No:
Product Description
Catalog Number:
AG0009UX
Chemical Name:
2,4-Heptadienoic acid, 7,7,7-trifluoro-2-hydroxy-6-oxo-
CAS Number:
113844-59-0
Molecular Formula:
C7H5F3O4
Molecular Weight:
210.1074
IUPAC Name:
7,7,7-trifluoro-2-hydroxy-6-oxohepta-2,4-dienoic acid
InChI:
InChI=1S/C7H5F3O4/c8-7(9,10)5(12)3-1-2-4(11)6(13)14/h1-3,11H,(H,13,14)
InChI Key:
GBYOHSZBFWOXHR-UHFFFAOYSA-N
SMILES:
OC(=CC=CC(=O)C(F)(F)F)C(=O)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.014g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.108g/mol
Monoisotopic Mass:
210.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.3
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