Basic information
- CAS
15476-35-4- Standard SMILES
OCC(O)C(O)c1cnn(-c2ccccc2)n1- InChIKey
BAAINTSMEYOAIX-UHFFFAOYSA-N- Molecular formula
- C11H13N3O3
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.09569129
Names & identifiers
- Preferred name
- 1-(2-Phenyltriazol-4-yl)propane-1,2,3-triol
- IUPAC
- 1-(2-phenyltriazol-4-yl)propane-1,2,3-triol
Names & synonyms
15476-35-4NSC560861-(2-phenyltriazol-4-yl)propane-1,2,3-triolDTXSID60935061NSC405915NSC-4059151-(2-Phenyl-2H-1,2,3-triazol-4-yl)-1,2,3-propanetriol1-(2-Phenyl-2H-1,2,3-triazol-4-yl)propane-1,2,3-triol
Database identifiers
- CAS
15476-35-4- PubChem CID
- 347308
- DTXSID
DTXSID60935061
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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