| CAS Number | 953884-67-8 |
| Catalog Number | AG019LMO |
| Chemical Name | 2,5-dimethyl-1-(1-phenylethyl)-1H-pyrrole-3-carboxylic acid |
| IUPAC Name | 2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxylic acid |
| InChI | InChI=1S/C15H17NO2/c1-10-9-14(15(17)18)12(3)16(10)11(2)13-7-5-4-6-8-13/h4-9,11H,1-3H3,(H,17,18) |
| InChI Key | LIGPYNGZDCKPFY-UHFFFAOYSA-N |
| MDL Number | MFCD09732476 |
| Molecular Formula | C15H17NO2 |
| Molecular Weight | 243.3010 |
| SMILES | CC(N1C(C)=C(C(O)=O)C=C1C)C1=CC=CC=C1 |
| Synonyms | 2,5-dimethyl-1-(1-phenylethyl)-1H-pyrrole-3-carboxylic acid,
953884-67-8,
AC1Q2BDU,
CTK7I6963,
AKOS008093478,
MCULE-1177065468,
NE26409,
EN300-31793,
Z425387674,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.306g/mol |
| Monoisotopic Mass | 243.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number