| CAS Number | 1052596-68-5 |
| Catalog Number | AG01AADR |
| Chemical Name | 2-[(2-Methyl-2,3-dihydro-1h-indol-1-yl)carbonyl]cyclohexane-1-carboxylic acid |
| IUPAC Name | 2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C17H21NO3/c1-11-10-12-6-2-5-9-15(12)18(11)16(19)13-7-3-4-8-14(13)17(20)21/h2,5-6,9,11,13-14H,3-4,7-8,10H2,1H3,(H,20,21) |
| InChI Key | WPCKPUAXLIGPHK-UHFFFAOYSA-N |
| MDL Number | MFCD06059147 |
| Molecular Formula | C17H21NO3 |
| Molecular Weight | 287.3535 |
| SMILES | CC1N(C(C2C(C(O)=O)CCCC2)=O)C2=C(C=CC=C2)C1 |
| Synonyms | 2-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)cyclohexane-1-carboxylic acid,
1052596-68-5,
2-[(2-methyl-2,3-dihydro-1H-indol-1-yl)carbonyl]cyclohexane-1-carboxylic acid,
AC1Q2QP0,
CTK7I8910,
AKOS000160689,
AKOS016902915,
MCULE-7855751497,
NE37733,
EN300-68319,
Z234896709,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.359g/mol |
| Monoisotopic Mass | 287.152g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number