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Home > Fluorides > 827341-85-5
827341-85-5 | 2-Propenoic acid, 2-(trifluoromethyl)-, 4-hydroxycyclohexyl ester
CAS No: 827341-85-5 Catalog No: AG004ZPN MDL No:
Product Description
Catalog Number:
AG004ZPN
Chemical Name:
2-Propenoic acid, 2-(trifluoromethyl)-, 4-hydroxycyclohexyl ester
CAS Number:
827341-85-5
Molecular Formula:
C10H13F3O3
Molecular Weight:
238.2036
IUPAC Name:
(4-hydroxycyclohexyl) 2-(trifluoromethyl)prop-2-enoate
InChI:
InChI=1S/C10H13F3O3/c1-6(10(11,12)13)9(15)16-8-4-2-7(14)3-5-8/h7-8,14H,1-5H2
InChI Key:
JDKIDLYWKMUPJH-UHFFFAOYSA-N
SMILES:
OC1CCC(CC1)OC(=O)C(=C)C(F)(F)F
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.206g/mol
Monoisotopic Mass:
238.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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