| CAS Number | 1041429-45-1 |
| Catalog Number | AG01A57H(AGN-PC-0WOCL0) |
| Chemical Name | 1H,4H,5H,6H-cyclopenta[b]pyrrole-2-carboxylic acid |
| IUPAC Name | 1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C8H9NO2/c10-8(11)7-4-5-2-1-3-6(5)9-7/h4,9H,1-3H2,(H,10,11) |
| InChI Key | BSRVSYHHHOIGSO-UHFFFAOYSA-N |
| MDL Number | MFCD20645457 |
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.1626 |
| SMILES | O=C(O)C1=CC2=C(N1)CCC2 |
| Synonyms | 1041429-45-1,
1H,4H,5H,6H-cyclopenta[b]pyrrole-2-carboxylic acid,
1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid,
SCHEMBL1004852,
BSRVSYHHHOIGSO-UHFFFAOYSA-N,
ZINC84248347,
AKOS023401142,
MCULE-7701235150,
NE48129,
Z1868430544,
1,4,5,6-tetrahydro-cyclopenta[b]pyrrole-2-carboxylic acid,
|
| Complexity | 181 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.165g/mol |
| Monoisotopic Mass | 151.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number