Basic information
- CAS
302606-04-8- Standard SMILES
O=C(Oc1cccc(CO[N+](=O)[O-])c1)c1ccccc1O- InChIKey
MKYGMVOKULQJBW-UHFFFAOYSA-N- Molecular formula
- C14H11NO6
- Average molar mass
- 289.24 g/mol
- Monoisotopic mass
- 289.05863707
Names & identifiers
- Preferred name
- Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester
- IUPAC
- [3-(nitrooxymethyl)phenyl] 2-hydroxybenzoate
Names & synonyms
302606-04-8Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester3-[(NITROOXY)METHYL]PHENYL 2-HYDROXYBENZOATESCHEMBL2300089DTXSID00274360
Database identifiers
- CAS
302606-04-8- PubChem CID
- 2278
- DTXSID
DTXSID00274360- Nikkaji
- J1.359.996C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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