4-Methylsulfinyl-2-methoxy-5-nitrobenzoic acid
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Basic information
- Standard SMILES
COc1cc(S(C)=O)c([N+](=O)[O-])cc1C(=O)O- InChIKey
LVCPJVYAPRSXLQ-UHFFFAOYSA-N- Molecular formula
- C9H9NO6S
- Average molar mass
- 259.24 g/mol
Names & identifiers
- Preferred name
- 4-Methylsulfinyl-2-methoxy-5-nitrobenzoic acid
- IUPAC
- 2-methoxy-4-methylsulfinyl-5-nitrobenzoic acid
Names & synonyms
SCHEMBL8901263LVCPJVYAPRSXLQ-UHFFFAOYSA-N4-methylsulfinyl-2-methoxy-5-nitrobenzoic acid
Database identifiers
- PubChem CID
- 21476984
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 341
Related reactions
2 records
Compound notes
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