Basic information
- CAS
29182-35-2- Standard SMILES
Cn1cc(CO)cc1CO- InChIKey
NWPKAPBXACRSTO-UHFFFAOYSA-N- Molecular formula
- C7H11NO2
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.07897859
Names & identifiers
- Preferred name
- Pyrrole-2,4-dimethanol, 1-methyl-
- IUPAC
- [4-(hydroxymethyl)-1-methylpyrrol-2-yl]methanol
- English name
- [4-(hydroxymethyl)-1-methyl-pyrrol-2-yl]methanol
- Molecular formula
- C7H11NO2
- Molecular weight
- 0
Names & synonyms
Pyrrole-2,4-dimethanol, 1-methyl-29182-35-2BRN 15260573,5-Bishydroxymethyl-1-methylpyrrole(1-Methyl-1H-pyrrole-2,4-diyl)dimethanolDTXSID20183440(4-Hydroxymethyl-1-methyl-1H-pyrrol-2-yl)-methanol2,4-bis-hydroxymethyl-1-methyl-pyrrole[4-(hydroxymethyl)-1-methyl-pyrrol-2-yl]methanol
Database identifiers
- CAS
29182-35-2- PubChem CID
- 147302
- DTXSID
DTXSID20183440- Nikkaji
- J125.964D
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
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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