Benzenesulfonic acid, p-((4-hydroxy-3-methylphenyl)azo)-
Basic information
- CAS
18513-39-8- Standard SMILES
COc1cc(N=Nc2ccc(S(=O)(=O)O)cc2)ccc1O- InChIKey
GPFSSYTUUIGMBL-UHFFFAOYSA-N- Molecular formula
- C13H12N2O5S
- Average molar mass
- 308.31 g/mol
- Monoisotopic mass
- 308.04669266
Names & identifiers
- Preferred name
- Benzenesulfonic acid, p-((4-hydroxy-3-methylphenyl)azo)-
- IUPAC
- 4-[(4-hydroxy-3-methoxyphenyl)diazenyl]benzenesulfonic acid
Names & synonyms
Benzenesulfonic acid, p-((4-hydroxy-3-methylphenyl)azo)-18513-39-8SCHEMBL8843992SCHEMBL88439964-[(4-hydroxy-3-methoxyphenyl) azo]-benzene sulfonic Acid
Database identifiers
- CAS
18513-39-8- PubChem CID
- 176995
- Nikkaji
- J691.744E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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