Basic information
- CAS
40870-66-4- Standard SMILES
COc1cc(OC)c([N+](=O)[O-])c(OC)c1CO- InChIKey
BWEMYSRWVGKEAC-UHFFFAOYSA-N- Molecular formula
- C10H13NO6
- Average molar mass
- 243.21 g/mol
- Monoisotopic mass
- 243.07428713
Names & identifiers
- Preferred name
- Benzenemethanol, 2,4,6-trimethoxy-3-nitro-
- IUPAC
- (2,4,6-trimethoxy-3-nitrophenyl)methanol
Names & synonyms
Benzenemethanol, 2,4,6-trimethoxy-3-nitro-40870-66-42,4,6-Trimethoxy-3-nitrobenzenemethanol(2,4,6-trimethoxy-3-nitrophenyl)methanolDTXSID40193849
Database identifiers
- CAS
40870-66-4- PubChem CID
- 148396
- DTXSID
DTXSID40193849
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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