Basic information
- CAS
51209-73-5- Standard SMILES
Oc1ccc(N=Cc2ccc3c(c2)OCO3)cc1- InChIKey
QRGWVTWDYKRYGR-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- 4-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol
- IUPAC
- 4-(1,3-benzodioxol-5-ylmethylideneamino)phenol
Names & synonyms
51209-73-54-[(E)-(2H-1,3-benzodioxol-5-ylmethylidene)amino]phenol4-(1,3-benzodioxol-5-ylmethylideneamino)phenol4-[(E)-[(2H-1,3-benzodioxol-5-yl)methylidene]amino]phenolMFCD004415304-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}phenolNSC267435CBDivE_015787DTXSID80313206AKOS024462334AKOS030239989JS-2977
Show more names
NSC-267435DS-0012544-(Benzo[1,3]dioxol-5-ylmethylideneamino)phenol4-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}phenol
Database identifiers
- CAS
51209-73-5- PubChem CID
- 320336
- DTXSID
DTXSID80313206
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
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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