| CAS Number | 6249-04-3 |
| Catalog Number | AG01DZWC(AGN-PC-0LNI84) |
| Chemical Name | (1H-Pyrrole-2,5-diyl)dimethanol |
| IUPAC Name | [5-(hydroxymethyl)-1H-pyrrol-2-yl]methanol |
| InChI | InChI=1S/C6H9NO2/c8-3-5-1-2-6(4-9)7-5/h1-2,7-9H,3-4H2 |
| InChI Key | INNRTGSPTOTXLK-UHFFFAOYSA-N |
| MDL Number | MFCD03931574 |
| Molecular Formula | C6H9NO2 |
| Molecular Weight | 127.1412 |
| SMILES | OCC1NC(CO)=CC=1 |
| Synonyms | 1H-Pyrrole-2,5-dimethanol,
(1H-Pyrrole-2,5-diyl)dimethanol,
6249-04-3,
[5-(hydroxymethyl)-1H-pyrrol-2-yl]methanol,
AC1NP6VS,
2,5-bis(hydroxymethyl)pyrrole,
SCHEMBL1760861,
CTK2B8799,
DTXSID00408880,
ZINC2519500,
FCH848409,
AKOS006279235,
MCULE-1403815425,
AX8276613,
CID5151810,
|
| Complexity | 77.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.143g/mol |
| Monoisotopic Mass | 127.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number