| CAS Number | 200934-71-0 |
| Catalog Number | AG01ABU7 |
| Chemical Name | 2-[(2,4,6-Trimethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid |
| IUPAC Name | 2-[(2,4,6-trimethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C17H23NO3/c1-10-8-11(2)15(12(3)9-10)18-16(19)13-6-4-5-7-14(13)17(20)21/h8-9,13-14H,4-7H2,1-3H3,(H,18,19)(H,20,21) |
| InChI Key | ZKDSDIXJXZLPAK-UHFFFAOYSA-N |
| MDL Number | MFCD00029459 |
| Molecular Formula | C17H23NO3 |
| Molecular Weight | 289.3694 |
| NSC Number | 204796 |
| SMILES | CC1=CC(C)=C(NC(C2C(C(O)=O)CCCC2)=O)C(C)=C1 |
| Synonyms | 2-[(2,4,6-trimethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid,
200934-71-0,
NSC204796,
AC1L7A7B,
AC1Q2I1E,
Oprea1_464235,
AKOS002942423,
AKOS016196840,
MCULE-6241867315,
NE59633,
NSC-204796,
Z57415457,
2-(N-(2,4,6-TRIMETHYLPHENYL)CARBAMOYL)CYCLOHEXANECARBOXYLIC ACID,
CID307088,
|
| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.375g/mol |
| Monoisotopic Mass | 289.168g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number