Basic information
- CAS
37672-53-0- Standard SMILES
O=S(=O)(O)c1cccc(N=Nc2ccc(O)cc2O)c1- InChIKey
IZGCZCWMOVQERF-UHFFFAOYSA-N- Molecular formula
- C12H10N2O5S
- Average molar mass
- 294.29 g/mol
- Monoisotopic mass
- 294.0310426
Names & identifiers
- Preferred name
- 3-[2-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzene-1-sulfonic acid
- IUPAC
- 3-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid
Names & synonyms
37672-53-0DTXSID907832943-[2-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazin-1-yl]benzene-1-sulfonic acid3-[2-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzene-1-sulfonic acid
Database identifiers
- CAS
37672-53-0- PubChem CID
- 136251908
- DTXSID
DTXSID90783294- Nikkaji
- J2.130.695I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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