Basic information
- CAS
292852-74-5- Standard SMILES
O=C(O)c1cc([N+](=O)[O-])c(NCCCO)c([N+](=O)[O-])c1- InChIKey
SIMIBTVPAYYYAT-UHFFFAOYSA-N- Molecular formula
- C10H11N3O7
- Average molar mass
- 285.21 g/mol
- Monoisotopic mass
- 285.0596997
Names & identifiers
- Preferred name
- 4-[(3-Hydroxypropyl)amino]-3,5-dinitrobenzoic acid
- IUPAC
- 4-(3-hydroxypropylamino)-3,5-dinitrobenzoic acid
Names & synonyms
4-[(3-hydroxypropyl)amino]-3,5-dinitrobenzoic acid292852-74-5CBDivE_002583DTXSID701228371STK366705AKOS001718282ST51060627
Database identifiers
- CAS
292852-74-5- PubChem CID
- 2829322
- DTXSID
DTXSID701228371
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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