2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester
Basic information
- CAS
535-02-4- Standard SMILES
C=C(C)C(=O)Oc1ccc(N=Nc2ccccc2)ccc1=O- InChIKey
SWAJMNNRRFKLMQ-UHFFFAOYSA-N- Molecular formula
- C17H14N2O3
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.10044231
Names & identifiers
- Preferred name
- 2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester
- IUPAC
- (7-oxo-4-phenyldiazenylcyclohepta-1,3,5-trien-1-yl) 2-methylprop-2-enoate
Names & synonyms
NSC82848WLN: L7VJ BOVY1&U1 ENUNR2-Hydroxy-5-(phenylazo)-2,6-cycloheptatrien-1-one methacrylate2-Propenoic acid, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester2,6-Cycloheptatrien-1-one, 2-hydroxy-5-(phenylazo)-, methacrylate (ester)-
Database identifiers
- CAS
535-02-4- PubChem CID
- 256273
- Nikkaji
- J48.603E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 591
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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