Basic information
- CAS
113501-80-7- Standard SMILES
Cc1cc(C)c(O)c(N=Nc2ccccc2C(=O)O)c1- InChIKey
MZIYJRWQDUTZEA-UHFFFAOYSA-N- Molecular formula
- C15H14N2O3
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.10044231
Names & identifiers
- Preferred name
- 2-[2-(3,5-Dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzoic acid
- IUPAC
- 2-[(2-hydroxy-3,5-dimethylphenyl)diazenyl]benzoic acid
Names & synonyms
113501-80-72-[2-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzoic acidDTXSID60765108o-(2-Hydroxy-3,5-xylylazo)benzoic acid2-[(E)-(2-hydroxy-3,5-dimethyl-phenyl)azo]benzoic acid2-[2-(3,5-DIMETHYL-6-OXOCYCLOHEXA-2,4-DIEN-1-YLIDENE)HYDRAZIN-1-YL]BENZOIC ACID
Database identifiers
- CAS
113501-80-7- PubChem CID
- 459043
- DTXSID
DTXSID60765108
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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