Basic information
- Standard SMILES
Cc1oc2c([N+](=O)[O-])cccc2c1CO- InChIKey
XZELYIWJMJDIDT-UHFFFAOYSA-N- Molecular formula
- C10H9NO4
- Average molar mass
- 207.18 g/mol
- Monoisotopic mass
- 207.05315777
Names & identifiers
- Preferred name
- 3-Hydroxymethyl-2-methyl-7-nitrobenzo[b]furan
- IUPAC
- (2-methyl-7-nitro-1-benzofuran-3-yl)methanol
Names & synonyms
SCHEMBL7817261XZELYIWJMJDIDT-UHFFFAOYSA-N3-hydroxymethyl-2-methyl-7-nitrobenzo[b]furan
Database identifiers
- PubChem CID
- 70197022
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Related reactions
4 records
Compound notes
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