| CAS Number | 1155519-52-0 |
| Catalog Number | AG00J2IA(AGN-PC-0WB5XX) |
| Chemical Name | 1-cyclopropyl-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 1-cyclopropylpyrrole-2-carboxylic acid |
| InChI | InChI=1S/C8H9NO2/c10-8(11)7-2-1-5-9(7)6-3-4-6/h1-2,5-6H,3-4H2,(H,10,11) |
| InChI Key | VDFAGHFIPYSSIU-UHFFFAOYSA-N |
| MDL Number | MFCD12181391 |
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.1626 |
| SMILES | N1(C=CC=C1C(O)=O)C1CC1 |
| Synonyms | 1-cyclopropyl-1H-pyrrole-2-carboxylic acid,
1155519-52-0,
1H-Pyrrole-2-carboxylic acid, 1-cyclopropyl-,
SCHEMBL9955674,
MFCD12181391,
ZINC35431435,
AKOS009517136,
AM90743,
AJ-91374,
Y-7080,
|
| 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 | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number