Basic information
- CAS
60301-57-7- Standard SMILES
Oc1ccccc1N=Cc1ccc2c(c1)OCO2- InChIKey
BQRPHDGQSWTHRV-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- 2-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol
- IUPAC
- 2-(1,3-benzodioxol-5-ylmethylideneamino)phenol
- English name
- Phenol,2-[(1,3-benzodioxol-5-ylmethylene)amino]-
- Molecular formula
- C14H11NO3
- Molecular weight
- 241.24
Names & synonyms
60301-57-7NSC151220DTXSID703024822-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenol2-(PIPERONYLIDENEAMINO)PHENOLAKOS024332687NSC-1512202-[(E)-1,3-benzodioxol-5-ylmethyleneamino]phenolPhenol,2-[(1,3-benzodioxol-5-ylmethylene)amino]-
Database identifiers
- CAS
60301-57-7- PubChem CID
- 289441
- DTXSID
DTXSID70302482- Nikkaji
- J1.058.420E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Melting point
- 185 °C · 185 °C
- Boiling point
- 436.137 · 436.137±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.287 · 1.287±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.285 · 10.285±0.35(predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…