| CAS Number | 59050-41-8 |
| Catalog Number | AG00F24V(AGN-PC-0MJUNJ) |
| Chemical Name | 1-methyl-2-phenyl-1H-indole-3-carboxylic acid |
| IUPAC Name | 1-methyl-2-phenylindole-3-carboxylic acid |
| InChI | InChI=1S/C16H13NO2/c1-17-13-10-6-5-9-12(13)14(16(18)19)15(17)11-7-3-2-4-8-11/h2-10H,1H3,(H,18,19) |
| InChI Key | RELJLFYAYAGHEF-UHFFFAOYSA-N |
| MDL Number | MFCD06203416 |
| Molecular Formula | C16H13NO2 |
| Molecular Weight | 251.2799 |
| SMILES | CN1C2=C(C=CC=C2)C(C(O)=O)=C1C1=CC=CC=C1 |
| Synonyms | 1-methyl-2-phenyl-1H-indole-3-carboxylic acid,
59050-41-8,
AC1PGILX,
AC1Q3Z4M,
SCHEMBL7487890,
CTK1G7906,
DTXSID70429269,
ZINC7784492,
MFCD06203416,
AKOS009075931,
MCULE-2766378968,
NE52218,
1-methyl-2-phenylindole-3-carboxylic acid,
EN300-23421,
Z166605326,
CID8899719,
1-methyl-2-phenyl-indole-3-carboxylic Acid,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.285g/mol |
| Monoisotopic Mass | 251.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number