| CAS Number | 383132-65-8 |
| Catalog Number | AG019OSK(AGN-PC-0LLDHZ) |
| Chemical Name | 6-phenyl-1H-indole-2-carboxylic acid |
| IUPAC Name | 6-phenyl-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C15H11NO2/c17-15(18)14-9-12-7-6-11(8-13(12)16-14)10-4-2-1-3-5-10/h1-9,16H,(H,17,18) |
| InChI Key | BPQUFUQBSLYLLO-UHFFFAOYSA-N |
| MDL Number | MFCD02664467 |
| Molecular Formula | C15H11NO2 |
| Molecular Weight | 237.2533 |
| SMILES | OC(C1NC2=C(C=CC(C3=CC=CC=C3)=C2)C=1)=O |
| Synonyms | 6-phenyl-1H-indole-2-carboxylic Acid,
383132-65-8,
AC1NMMIB,
AC1Q73VU,
SCHEMBL3389181,
CHEMBL1688795,
CTK7I7312,
BPQUFUQBSLYLLO-UHFFFAOYSA-N,
ZINC3748671,
AKOS009041186,
MCULE-2960735290,
NE34883,
NCGC00341512-01,
EN300-15102,
AB01142522-03,
Z240081938,
CID5028375,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.258g/mol |
| Monoisotopic Mass | 237.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number