Methyl trans-4-Formylcyclohexanecarboxylate - CAS 54274-80-5
Catalog: |
BB028583 |
Product Name: |
Methyl trans-4-Formylcyclohexanecarboxylate |
CAS: |
54274-80-5 |
Synonyms: |
4-formyl-1-cyclohexanecarboxylic acid methyl ester; methyl 4-formylcyclohexane-1-carboxylate |
IUPAC Name: | methyl 4-formylcyclohexane-1-carboxylate |
Description: | Methyl trans-4-Formylcyclohexanecarboxylate (CAS# 54274-80-5) is a useful research chemical compound. |
Molecular Weight: | 170.21 |
Molecular Formula: | C9H14O3 |
Canonical SMILES: | COC(=O)C1CCC(CC1)C=O |
InChI: | InChI=1S/C9H14O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h6-8H,2-5H2,1H3 |
InChI Key: | LARSGJZNVQJRMD-UHFFFAOYSA-N |
Appearance: | Colorless to light yellow clear liquid |
LogP: | 1.16470 |
Publication Number | Title | Priority Date |
WO-2021188696-A1 | Stat degraders and uses thereof | 20200317 |
WO-2020229968-A1 | Non-lysosomal glucosylceramidase inhibitors and uses thereof | 20190510 |
WO-2020190791-A1 | Inhibiting cyclic amp-responsive element-binding protein (creb) | 20190315 |
WO-2020081257-A1 | Modulators of alpha-1 antitrypsin | 20181005 |
US-2021179587-A1 | Modulators of alpha-1 antitrypsin | 20181005 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.094294304 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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