Basic information
- CAS
51928-82-6- Standard SMILES
O=C(OCC(O)CO)c1cccc([N+](=O)[O-])c1- InChIKey
DEPIJCMSSIVPDJ-UHFFFAOYSA-N- Molecular formula
- C10H11NO6
- Average molar mass
- 241.2 g/mol
- Monoisotopic mass
- 241.05863707
Names & identifiers
- Preferred name
- 2,3-Dihydroxypropyl 3-nitrobenzoate
- IUPAC
- 2,3-dihydroxypropyl 3-nitrobenzoate
Names & synonyms
2,3-dihydroxypropyl 3-nitrobenzoate51928-82-6DTXSID80966251RefChem:1059438DTXCID6013938983-Nitrobenzoic acid 2,3-dihydroxypropyl esterBRN 21399613-(beta,gamma-Dihydroxypropoxycarbonyl)nitrobenzeneBENZOIC ACID, 3-NITRO-, 2,3-DIHYDROXYPROPYL ESTER
Database identifiers
- CAS
51928-82-6- PubChem CID
- 40182
- DTXSID
DTXSID80966251
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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