| CAS Number | 1096790-29-2 |
| Catalog Number | AG01A96V |
| Chemical Name | 4-(3-Methoxyphenyl)-1H-pyrrole-3-carboxylic acid |
| IUPAC Name | 4-(3-methoxyphenyl)-1H-pyrrole-3-carboxylic acid |
| InChI | InChI=1S/C12H11NO3/c1-16-9-4-2-3-8(5-9)10-6-13-7-11(10)12(14)15/h2-7,13H,1H3,(H,14,15) |
| InChI Key | MWVGZRPLEPVDAB-UHFFFAOYSA-N |
| MDL Number | MFCD11217947 |
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.2206 |
| SMILES | O=C(C1=CNC=C1C2=CC=CC(OC)=C2)O |
| Synonyms | 4-(3-methoxyphenyl)-1H-pyrrole-3-carboxylic acid,
1096790-29-2,
AC1Q47SZ,
ZINC37245322,
AKOS009459276,
MCULE-3202414866,
NE48167,
EN300-64338,
Z1171979259,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.224g/mol |
| Monoisotopic Mass | 217.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number