| CAS Number | 1613049-53-8 |
| Catalog Number | AG01BDTE |
| Chemical Name | 3-(1-methyl-1H-pyrrol-3-yl)prop-2-enoic acid |
| IUPAC Name | 3-(1-methylpyrrol-3-yl)prop-2-enoic acid |
| InChI | InChI=1S/C8H9NO2/c1-9-5-4-7(6-9)2-3-8(10)11/h2-6H,1H3,(H,10,11) |
| InChI Key | BKQIMUXRFYSQEA-UHFFFAOYSA-N |
| MDL Number | MFCD21768717 |
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.1626 |
| SMILES | O=C(O)C=CC1=CN(C)C=C1 |
| Synonyms | 3-(1-methyl-1H-pyrrol-3-yl)prop-2-enoic acid,
1613049-53-8,
1369471-70-4,
AKOS017585471,
MCULE-2191556273,
Z1860991922,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.165g/mol |
| Monoisotopic Mass | 151.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number