methyl 3-formylcyclohexane-1-carboxylate - CAS 50738-62-0
Catalog: |
BB059017 |
Product Name: |
methyl 3-formylcyclohexane-1-carboxylate |
CAS: |
50738-62-0 |
Synonyms: |
Methyl 3-formylcyclohexane-1-carboxylate; methyl 3-formylcyclohexanecarboxylate; Cyclohexanecarboxylic acid, 3-formyl-, methyl ester; methyl3-formylcyclohexanecarboxylate; methyl3-formylcyclohexane-1-carboxylate |
IUPAC Name: | methyl 3-formylcyclohexane-1-carboxylate |
Description: | methyl 3-formylcyclohexane-1-carboxylate (cas# 50738-62-0) is a useful research chemical. |
Molecular Weight: | 170.21 |
Molecular Formula: | C9H14O3 |
Canonical SMILES: | COC(=O)C1CCCC(C1)C=O |
InChI: | InChI=1S/C9H14O3/c1-12-9(11)8-4-2-3-7(5-8)6-10/h6-8H,2-5H2,1H3 |
InChI Key: | OSEJUCOTKIRRNR-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Ethyl Acetate (Slightly) |
Appearance: | Colourless Oil |
Storage: | Hygroscopic, -20°C Freezer, Under inert atmosphere |
Complexity: | 177 |
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: | 43.4Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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