| CAS Number | 5441-73-6 |
| Catalog Number | AG01ADZQ(AGN-PC-03GQGJ) |
| Chemical Name | 2-Methyl-5-phenyl-1H-pyrrole-3-carboxylic acid |
| IUPAC Name | 2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid |
| InChI | InChI=1S/C12H11NO2/c1-8-10(12(14)15)7-11(13-8)9-5-3-2-4-6-9/h2-7,13H,1H3,(H,14,15) |
| InChI Key | XDXKXRVCTYULQN-UHFFFAOYSA-N |
| MDL Number | MFCD16304976 |
| Molecular Formula | C12H11NO2 |
| Molecular Weight | 201.2212 |
| NSC Number | 20995 |
| SMILES | CC1=C(C(O)=O)C=C(C2=CC=CC=C2)N1 |
| Synonyms | 2-methyl-5-phenyl-1h-pyrrole-3-carboxylic acid,
5441-73-6,
NSC20995,
AC1L5G2U,
AC1Q5UM2,
SCHEMBL2215320,
CTK1H4564,
DTXSID40281250,
ZINC1577303,
NSC-20995,
AKOS022302726,
1H-Pyrrole-3-carboxylicacid, 2-methyl-5-phenyl-,
AR-1E3761,
CID228241,
6302-96-1,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.225g/mol |
| Monoisotopic Mass | 201.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number