| CAS Number | 50421-27-7 |
| Catalog Number | AG01ACIY(AGN-PC-0WO2RL) |
| Chemical Name | 1-methoxycyclohexane-1-carboxylic acid |
| IUPAC Name | 1-methoxycyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C8H14O3/c1-11-8(7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H,9,10) |
| InChI Key | OSJRHIPIBCOBCT-UHFFFAOYSA-N |
| MDL Number | MFCD14635185 |
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.1950 |
| SMILES | COC1(CCCCC1)C(=O)O |
| Synonyms | 1-methoxycyclohexane-1-carboxylic Acid,
50421-27-7,
1-Methoxycyclohexanecarboxylic acid,
Cyclohexanecarboxylic acid, 1-methoxy-,
SCHEMBL19233,
methoxycyclohexane carboxylic acid,
OSJRHIPIBCOBCT-UHFFFAOYSA-N,
ZINC36419808,
AKOS017417826,
NE23277,
F8880-4762,
CID11768835,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.197g/mol |
| Monoisotopic Mass | 158.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number