| CAS Number | 41248-15-1 |
| Catalog Number | AG00CK58(AGN-PC-0WOQBT) |
| Chemical Name | 1-Hydroxy-4-methylcyclohexane-1-carboxylic acid |
| IUPAC Name | 1-hydroxy-4-methylcyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C8H14O3/c1-6-2-4-8(11,5-3-6)7(9)10/h6,11H,2-5H2,1H3,(H,9,10) |
| InChI Key | GPPBORVXLHFQLL-UHFFFAOYSA-N |
| MDL Number | MFCD14601959 |
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.1950 |
| SMILES | CC1CCC(C(O)=O)(O)CC1 |
| Synonyms | 1-hydroxy-4-methylcyclohexanecarboxylic acid,
41248-15-1,
1-hydroxy-4-methylcyclohexane-1-carboxylic acid,
SCHEMBL3529212,
MFCD14601959,
ZINC40733670,
AKOS010487145,
BS-12432,
Z2327040054,
|
| Complexity | 157 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.197g/mol |
| Monoisotopic Mass | 158.094g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number