methyl 3-hydroxy-5-(trifluoromethyl)cyclohexane-1-carboxylate - CAS 1993265-20-5
Catalog: |
BB015387 |
Product Name: |
methyl 3-hydroxy-5-(trifluoromethyl)cyclohexane-1-carboxylate |
CAS: |
1993265-20-5 |
Synonyms: |
3-hydroxy-5-(trifluoromethyl)-1-cyclohexanecarboxylic acid methyl ester; methyl 3-hydroxy-5-(trifluoromethyl)cyclohexane-1-carboxylate |
IUPAC Name: | methyl 3-hydroxy-5-(trifluoromethyl)cyclohexane-1-carboxylate |
Description: | methyl 3-hydroxy-5-(trifluoromethyl)cyclohexane-1-carboxylate (CAS# 1993265-20-5 ) is a useful research chemical. |
Molecular Weight: | 226.195 |
Molecular Formula: | C9H13F3O3 |
Canonical SMILES: | COC(=O)C1CC(CC(C1)O)C(F)(F)F |
InChI: | InChI=1S/C9H13F3O3/c1-15-8(14)5-2-6(9(10,11)12)4-7(13)3-5/h5-7,13H,2-4H2,1H3 |
InChI Key: | BZRKVXHQNGELJP-UHFFFAOYSA-N |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.08167876 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.08167876 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 3 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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