2-Formyl-5,6-dimethoxy-3-nitrobenzoic acid
Basic information
- CAS
74432-20-5- Standard SMILES
COc1cc([N+](=O)[O-])c(C=O)c(C(=O)O)c1OC- InChIKey
JPZSWEVYVKOIFO-UHFFFAOYSA-N- Molecular formula
- C10H9NO7
- Average molar mass
- 255.18 g/mol
- Monoisotopic mass
- 255.03790163
Names & identifiers
- Preferred name
- 2-Formyl-5,6-dimethoxy-3-nitrobenzoic acid
- IUPAC
- 2-formyl-5,6-dimethoxy-3-nitrobenzoic acid
Names & synonyms
74432-20-52-formyl-5,6-dimethoxy-3-nitrobenzoic acidNSC159265DTXSID60303600NSC-159265
Database identifiers
- CAS
74432-20-5- PubChem CID
- 292987
- DTXSID
DTXSID60303600
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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