| CAS Number | 802052-63-7 |
| Catalog Number | AG00IMB7(AGN-PC-09LNTL) |
| Chemical Name | 3-Phenyl-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 3-phenyl-1H-pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C11H9NO2/c13-11(14)10-9(6-7-12-10)8-4-2-1-3-5-8/h1-7,12H,(H,13,14) |
| InChI Key | JKPQOHQTACWXPF-UHFFFAOYSA-N |
| MDL Number | MFCD20645885 |
| Molecular Formula | C11H9NO2 |
| Molecular Weight | 187.1947 |
| SMILES | OC(C1=C(C2=CC=CC=C2)C=CN1)=O |
| Synonyms | 3-Phenyl-1H-pyrrole-2-carboxylic acid,
802052-63-7,
3-phenyl-1H-pyrrol-2-ylcarboxylic acid,
SCHEMBL1330600,
JKPQOHQTACWXPF-UHFFFAOYSA-N,
KUC109642N,
MFCD20645885,
ZINC74279576,
AKOS017531571,
CS-12680,
SY129880,
1H-Pyrrole-2-carboxylic acid, 3-phenyl-,
KSC-228-022-1,
MFCD20645885 (95%),
Z2510258314,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.198g/mol |
| Monoisotopic Mass | 187.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number