| CAS Number | 749219-01-0 |
| Catalog Number | AG00G3T4 |
| Chemical Name | 2,5-Dimethyl-1-m-tolyl-1h-pyrrole-3-carboxylic acid |
| IUPAC Name | 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylic acid |
| InChI | InChI=1S/C14H15NO2/c1-9-5-4-6-12(7-9)15-10(2)8-13(11(15)3)14(16)17/h4-8H,1-3H3,(H,16,17) |
| InChI Key | IOJALCGKYLGWBU-UHFFFAOYSA-N |
| MDL Number | MFCD03658004 |
| Molecular Formula | C14H15NO2 |
| Molecular Weight | 229.2744 |
| SMILES | O=C(C1=C(C)N(C2=CC=CC(C)=C2)C(C)=C1)O |
| Synonyms | 2,5-Dimethyl-1-m-tolyl-1H-pyrrole-3-carboxylic acid,
749219-01-0,
2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrole-3-carboxylic acid,
2,5-Dimethyl-1-(m-tolyl)-1H-pyrrole-3-carboxylic acid,
AC1Q2HPY,
AC1M603J,
CTK6C1200,
2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylic Acid,
ZINC3220747,
MFCD03658004,
AKOS000263452,
MCULE-5750599577,
NE31615,
EN300-00945,
J-507359,
Z56858160,
CID2339295,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.279g/mol |
| Monoisotopic Mass | 229.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number