Basic information
- Standard SMILES
COC(=O)c1cc(C(=O)OC)c(O)c([N+](=O)[O-])c1- InChIKey
PZCTXJGNFBZQJS-UHFFFAOYSA-N- Molecular formula
- C10H9NO7
- Average molar mass
- 255.18 g/mol
Names & identifiers
- Preferred name
- Dimethyl 4-hydroxy-5-nitroisophthalate
- IUPAC
- dimethyl 4-hydroxy-5-nitrobenzene-1,3-dicarboxylate
Names & synonyms
SCHEMBL4301550PZCTXJGNFBZQJS-UHFFFAOYSA-NDimethyl 4-hydroxy-5-nitroisophthalate
Database identifiers
- PubChem CID
- 59696341
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 351
Related reactions
1 records
Compound notes
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