Basic information
- CAS
50354-32-0- Standard SMILES
CC1Oc2cc(O)ccc2N=C2C=CC(=O)C=C21- InChIKey
NJPLVKZYYSQLFN-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- CID 9881259
- IUPAC
- 3-hydroxy-6-methyl-6H-benzo[b][4,1]benzoxazepin-8-one
- English name
- METHYL PURPLE
- Molecular formula
- C14H11NO3
- Molecular weight
- 241.24
Names & synonyms
METHYL PURPLEMETHYL PURPLE SODIUM SALTDibenz[b,e][1,4]oxazepin-2(11H)-one, 8-hydroxy-11-methyl-
Database identifiers
- CAS
50354-32-0- PubChem CID
- 9881259
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- form
- Liquid
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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