| CAS Number | 1254119-78-2 |
| Catalog Number | AG01B5IW |
| Chemical Name | 3,3,5,5-Tetramethylcyclohexane-1-carboxylic acid |
| IUPAC Name | 3,3,5,5-tetramethylcyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C11H20O2/c1-10(2)5-8(9(12)13)6-11(3,4)7-10/h8H,5-7H2,1-4H3,(H,12,13) |
| InChI Key | VQGYCTRDKSTGJU-UHFFFAOYSA-N |
| MDL Number | MFCD26079837 |
| Molecular Formula | C11H20O2 |
| Molecular Weight | 184.2753 |
| SMILES | CC1(CC(CC(C1)(C)C)C(=O)O)C |
| Synonyms | 3,3,5,5-tetramethylcyclohexane-1-carboxylic acid,
1254119-78-2,
SCHEMBL849927,
AKOS033936351,
ZINC114705012,
Z2522503171,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.279g/mol |
| Monoisotopic Mass | 184.146g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number