Methyl 4-(Hydroxymethyl)cyclohexanecarboxylate - CAS 13380-85-3
Catalog: |
BB007817 |
Product Name: |
Methyl 4-(Hydroxymethyl)cyclohexanecarboxylate |
CAS: |
13380-85-3 |
Synonyms: |
4-(hydroxymethyl)-1-cyclohexanecarboxylic acid methyl ester; methyl 4-(hydroxymethyl)cyclohexane-1-carboxylate |
IUPAC Name: | methyl 4-(hydroxymethyl)cyclohexane-1-carboxylate |
Description: | Methyl 4-(Hydroxymethyl)cyclohexanecarboxylate (CAS# 13380-85-3 ) is a useful research chemical. |
Molecular Weight: | 172.22 |
Molecular Formula: | C9H16O3 |
Canonical SMILES: | COC(=O)C1CCC(CC1)CO |
InChI: | InChI=1S/C9H16O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h7-8,10H,2-6H2,1H3 |
InChI Key: | KOGYKIDJFOMAOF-UHFFFAOYSA-N |
Boiling Point: | 250.7 °C at 760 mmHg |
Density: | 1.058 g/cm3 |
MDL: | MFCD03840884 |
LogP: | 0.95810 |
Publication Number | Title | Priority Date |
WO-2021158634-A1 | Irak degraders and uses thereof | 20200203 |
US-2021228562-A1 | Irak degraders and uses thereof | 20191217 |
WO-2021127190-A1 | Irak degraders and uses thereof | 20191217 |
WO-2021127283-A2 | Irak degraders and uses thereof | 20191217 |
WO-2021107047-A1 | Method for producing 4-(aminomethyl)cyclohexane carboxylic acid | 20191129 |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.109944368 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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