3-(1-Hydroxyethyl)-5-nitrobenzoic acid
Basic information
- CAS
779-91-9- Standard SMILES
CC(O)c1cc(C(=O)O)cc([N+](=O)[O-])c1- InChIKey
ZURMQCTYVXKSPN-UHFFFAOYSA-N- Molecular formula
- C9H9NO5
- Average molar mass
- 211.17 g/mol
- Monoisotopic mass
- 211.04807239
Names & identifiers
- Preferred name
- 3-(1-Hydroxyethyl)-5-nitrobenzoic acid
- IUPAC
- 3-(1-hydroxyethyl)-5-nitrobenzoic acid
Names & synonyms
3-(1-hydroxyethyl)-5-nitrobenzoic acidDTXSID201282350779-91-9
Database identifiers
- CAS
779-91-9- PubChem CID
- 54567211
- DTXSID
DTXSID201282350
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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