| CAS Number | 72335-53-6 |
| Catalog Number | AG01B7HA |
| Chemical Name | 1-(Methoxymethyl)cyclohexane-1-carboxylic acid |
| IUPAC Name | 1-(methoxymethyl)cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C9H16O3/c1-12-7-9(8(10)11)5-3-2-4-6-9/h2-7H2,1H3,(H,10,11) |
| InChI Key | OLRBFBRCLMFLBD-UHFFFAOYSA-N |
| MDL Number | MFCD19374575 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | COCC1(C(O)=O)CCCCC1 |
| Synonyms | 1-(methoxymethyl)cyclohexane-1-carboxylic acid,
72335-53-6,
SCHEMBL19753,
OLRBFBRCLMFLBD-UHFFFAOYSA-N,
ZINC62498578,
AKOS022468338,
1-Methoxymethyl-1-cyclohexyl-carboxylic acid,
cyclohexanecarboxylic acid, 1-(methoxymethyl)-,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number