Basic information
- Standard SMILES
O=C(O)c1c(CN2CCOCC2)cccc1[N+](=O)[O-]- InChIKey
HOGPKNMMOUTFJO-UHFFFAOYSA-N- Molecular formula
- C12H14N2O5
- Average molar mass
- 266.25 g/mol
Names & identifiers
- Preferred name
- 2-Morpholin-4-ylmethyl-6-nitro-benzoic acid
- IUPAC
- 2-(morpholin-4-ylmethyl)-6-nitrobenzoic acid
Names & synonyms
870280-80-1SCHEMBL356201HOGPKNMMOUTFJO-UHFFFAOYSA-NDA-280922-morpholin-4-ylmethyl-6-nitro-benzoic acid
Database identifiers
- PubChem CID
- 59841069
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Related reactions
20 records
Compound notes
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