2,3-Bis(hydroxymethyl)-1-methylpyrrole
Basic information
- CAS
53365-77-8- Standard SMILES
Cn1ccc(CO)c1CO- InChIKey
UURQCEWYWGXHEM-UHFFFAOYSA-N- Molecular formula
- C7H11NO2
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.07897859
Overview
structure
Names & identifiers
- Preferred name
- 2,3-Bis(hydroxymethyl)-1-methylpyrrole
- IUPAC
- [2-(hydroxymethyl)-1-methylpyrrol-3-yl]methanol
- English name
- 2,3-bis(hydroxymethyl)-1-methylpyrrole
- Molecular formula
- C7H11NO2
- Molecular weight
- 141.17
Names & synonyms
2,3-Bis(hydroxymethyl)-1-methylpyrrole53365-77-81H-Pyrrole-2,3-dimethanol, 1-methyl-DTXSID90201529Bis(hydroxymethyl)-1-methylpyrroleRefChem:81502DTXCID70124020BRN 15253201-Methylpyrrole-2,3-dimethanol1,2-Bishydroxymethyl-1-methylpyrrole2,3-Bishydroxymethyl-1-methylpyrrole[2-(hydroxymethyl)-1-methylpyrrol-3-yl]methanol
Show more names
Pyrrole-2,3-dimethanol, 1-methyl-(1-methyl-1H-pyrrole-2,3-diyl)dimethanolAKOS006280142DB-2921482,3-BIS-(HYDROXYMETHYL)-1-METHYLPYRROLE
Database identifiers
- CAS
53365-77-8- PubChem CID
- 119489
- DTXSID
DTXSID90201529- Nikkaji
- J87.073K
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Boiling point
- 258.21 °C · 258.21°C (rough estimate)
- Density
- 1.1522 · 1.1522 (rough estimate)
- refractive index
- 1.43 · 1.4300 (estimate)
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Related reactions
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Compound notes
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