| CAS Number | 1039931-32-2 |
| Catalog Number | AG01A8JM |
| Chemical Name | 1-(2-Methylphenyl)cyclohexane-1-carboxylic acid |
| IUPAC Name | 1-(2-methylphenyl)cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C14H18O2/c1-11-7-3-4-8-12(11)14(13(15)16)9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,16) |
| InChI Key | VTMYJZKQMMQFCQ-UHFFFAOYSA-N |
| MDL Number | MFCD11037175 |
| Molecular Formula | C14H18O2 |
| Molecular Weight | 218.2915 |
| SMILES | CC1=C(C2(C(O)=O)CCCCC2)C=CC=C1 |
| Synonyms | 1-(2-methylphenyl)cyclohexane-1-carboxylic acid,
1039931-32-2,
AC1Q2EN9,
ZINC20429426,
AKOS008118559,
MCULE-3100157767,
EN300-61772,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.296g/mol |
| Monoisotopic Mass | 218.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number