| CAS Number | 1483284-21-4 |
| Catalog Number | AG01BDC8 |
| Chemical Name | 1-(cyclopropylmethyl)-1H-indole-2-carboxylic acid |
| IUPAC Name | 1-(cyclopropylmethyl)indole-2-carboxylic acid |
| InChI | InChI=1S/C13H13NO2/c15-13(16)12-7-10-3-1-2-4-11(10)14(12)8-9-5-6-9/h1-4,7,9H,5-6,8H2,(H,15,16) |
| InChI Key | RYMNGKMARFHRAS-UHFFFAOYSA-N |
| MDL Number | MFCD20185192 |
| Molecular Formula | C13H13NO2 |
| Molecular Weight | 215.2478 |
| SMILES | OC(C1N(CC2CC2)C2=C(C=CC=C2)C=1)=O |
| Synonyms | 1-(cyclopropylmethyl)-1H-indole-2-carboxylic acid,
1483284-21-4,
ZINC82687450,
AKOS013253108,
MCULE-9372981914,
NE44937,
Z1839475164,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.252g/mol |
| Monoisotopic Mass | 215.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number