| CAS Number | 300541-60-0 |
| Catalog Number | AG019PPJ |
| Chemical Name | 1-cyclopropyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid |
| IUPAC Name | 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylic acid |
| InChI | InChI=1S/C14H15NO3/c1-8-13(14(16)17)11-7-10(18-2)5-6-12(11)15(8)9-3-4-9/h5-7,9H,3-4H2,1-2H3,(H,16,17) |
| InChI Key | RJZHKBSIYHHOMB-UHFFFAOYSA-N |
| MDL Number | MFCD01566850 |
| Molecular Formula | C14H15NO3 |
| Molecular Weight | 245.2738 |
| SMILES | COC1=CC2=C(N(C(=C2C(O)=O)C)C2CC2)C=C1 |
| Synonyms | 1-cyclopropyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid,
300541-60-0,
Oprea1_042684,
CTK7A7855,
ZINC81576,
AKOS001281839,
MCULE-8629049059,
NE46412,
EN300-24659,
Z203038522,
1-Cyclopropyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid, AldrichCPR,
AC1MBME0,
AC1Q4EUP,
CID2727870,
1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylic acid,
1-cyclopropyl-5-methoxy-2-methyl-indole-3-carboxylic Acid,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.105193g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.27g/mol |
| Monoisotopic Mass | 245.105193g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number