Trimethyl cis,cis-1,3,5-cyclohexanetricarboxylate - CAS 6998-83-0
Catalog: |
BB034036 |
Product Name: |
Trimethyl cis,cis-1,3,5-cyclohexanetricarboxylate |
CAS: |
6998-83-0 |
Synonyms: |
trimethyl cyclohexane-1,3,5-tricarboxylate |
IUPAC Name: | trimethyl cyclohexane-1,3,5-tricarboxylate |
Description: | Trimethyl cis,cis-1,3,5-cyclohexanetricarboxylate (CAS# 6998-83-0 ) is a useful research chemical. |
Molecular Weight: | 258.27 |
Molecular Formula: | C12H18O6 |
Canonical SMILES: | COC(=O)C1CC(CC(C1)C(=O)OC)C(=O)OC |
InChI: | InChI=1S/C12H18O6/c1-16-10(13)7-4-8(11(14)17-2)6-9(5-7)12(15)18-3/h7-9H,4-6H2,1-3H3 |
InChI Key: | ZZNOMLSSCRBRJS-UHFFFAOYSA-N |
Boiling Point: | 332.848 ℃ at 760 mmHg |
Density: | 1.178 g/cm3 |
MDL: | MFCD00134230 |
LogP: | 0.53790 |
Publication Number | Title | Priority Date |
JP-2021130079-A | Liquid fixed quantity discharge device | 20200218 |
JP-2020064017-A | Temperature sensing material, temperature sensing ink using the same, temperature indicator, and article management system | 20181019 |
WO-2020009245-A1 | Temperature sensing material and temperature sensing ink using same | 20180706 |
US-2021111345-A1 | Metal complexes | 20180319 |
WO-2019165425-A1 | Antimicrobial gallium compounds and methods | 20180226 |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.11033829 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.11033829 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 78.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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