| CAS Number | 896049-13-1 |
| Catalog Number | AG01A90Y(AGN-PC-0WO0GF) |
| Chemical Name | 1-[(pyridin-2-yl)methyl]-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 1-(pyridin-2-ylmethyl)pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C11H10N2O2/c14-11(15)10-5-3-7-13(10)8-9-4-1-2-6-12-9/h1-7H,8H2,(H,14,15) |
| InChI Key | NXLOOPLVQVHWKI-UHFFFAOYSA-N |
| MDL Number | MFCD05174986 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | OC(C1N(CC2=NC=CC=C2)C=CC=1)=O |
| Synonyms | 1-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxylic acid,
896049-13-1,
AC1Q73PU,
ZINC35431426,
AKOS009516802,
NE47964,
EN300-63923,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.213g/mol |
| Monoisotopic Mass | 202.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number