| CAS Number | 89686-40-8 |
| Catalog Number | AG0044BB(AGN-PC-00O0N4) |
| Chemical Name | 1-Methylpyrrol-2-ol |
| IUPAC Name | 1-methylpyrrol-2-ol |
| InChI | InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3 |
| InChI Key | BIHFUWCZQLDCIB-UHFFFAOYSA-N |
| MDL Number | MFCD28657416 |
| Molecular Formula | C5H7NO |
| Molecular Weight | 97.1152 |
| SMILES | Cn1cccc1O |
| Synonyms | 1H-Pyrrol-2-ol, 1-methyl-,
89686-40-8,
1-METHYLPYRROL-2-OL,
n-methyl hydroxypyrrole,
ACMC-20lp92,
1-Methyl-1H-pyrrol-2-ol,
CTK2J1984,
DTXSID90549690,
ZINC33836219,
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| Complexity | 65.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 97.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 97.117g/mol |
| Monoisotopic Mass | 97.053g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number