| CAS Number | 130016-65-8 |
| Catalog Number | AG019X02(AGN-PC-0WOA5H) |
| Chemical Name | 2-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid |
| IUPAC Name | 2-(2,5-dimethylpyrrol-1-yl)propanoic acid |
| InChI | InChI=1S/C9H13NO2/c1-6-4-5-7(2)10(6)8(3)9(11)12/h4-5,8H,1-3H3,(H,11,12) |
| InChI Key | KMPVHPUUCYAQFR-UHFFFAOYSA-N |
| MDL Number | MFCD02302091 |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.205 |
| SMILES | CC(N1C(C)=CC=C1C)C(O)=O |
| Synonyms | 2-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid,
130016-65-8,
2-(2,5-Dimethyl-pyrrol-1-yl)-propionic acid,
AC1Q2BDV,
2-(2,5-dimethylpyrrol-1-yl)propanoic Acid,
AC1NFT09,
CTK6A9465,
AKOS000148103,
MCULE-1998103920,
NE18565,
EN300-53659,
2-(2,5-dimethyl-1h-pyrrol-1-yl)propionic acid,
CID4713462,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.208g/mol |
| Monoisotopic Mass | 167.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number