1,3-Propanediol, 2-ethyl-2-(p-nitrophenyl)-
Basic information
- CAS
25451-01-8- Standard SMILES
CCC(CO)(CO)c1ccc([N+](=O)[O-])cc1- InChIKey
ZTBKIHWGDLNDQG-UHFFFAOYSA-N- Molecular formula
- C11H15NO4
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.10010796
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-ethyl-2-(p-nitrophenyl)-
- IUPAC
- 2-ethyl-2-(4-nitrophenyl)propane-1,3-diol
Names & synonyms
1,3-Propanediol, 2-ethyl-2-(p-nitrophenyl)-25451-01-82-Ethyl-2-(p-nitrophenyl)-1,3-propanediolDTXSID80180117RefChem:219646DTXCID901026082-ethyl-2-(4-nitrophenyl)propane-1,3-diolZTBKIHWGDLNDQG-UHFFFAOYSA-N
Database identifiers
- CAS
25451-01-8- PubChem CID
- 212997
- DTXSID
DTXSID80180117
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
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Compound notes
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