Dinitropropylphenol
Basic information
- CAS
51053-33-9- Standard SMILES
O=[N+]([O-])C(CCc1ccccc1O)[N+](=O)[O-]- InChIKey
YLIPAWHGPCUKFA-UHFFFAOYSA-N- Molecular formula
- C9H10N2O5
- Average molar mass
- 226.19 g/mol
- Monoisotopic mass
- 226.05897142
Names & identifiers
- Preferred name
- Dinitropropylphenol
- IUPAC
- 2-(3,3-dinitropropyl)phenol
- English name
- dinitropropylphenol
- Molecular weight
- 0
Names & synonyms
Dinitropropylphenol51053-33-9DTXSID60199060RefChem:134452DTXCID901215512-(3,3-dinitropropyl)phenolPhenol, dinitropropyl-
Database identifiers
- CAS
51053-33-9- PubChem CID
- 170965
- DTXSID
DTXSID60199060
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Comptox DTXSID
- 60199060 · DTXSID60199060
- HS Code
- 2908999090 · 2908999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2908999090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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