4-[[2,4-Dihydroxy-3-(2-methylpropyl)naphthalen-1-yl]diazenyl]-2-hydroxybenzoic acid
Basic information
- CAS
65862-23-9- Standard SMILES
CC(C)Cc1c(O)c(N=Nc2ccc(C(=O)O)c(O)c2)c2ccccc2c1O- InChIKey
HQRBVIHYZMFNOO-UHFFFAOYSA-N- Molecular formula
- C21H20N2O5
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.13722174
Names & identifiers
- Preferred name
- 4-[[2,4-Dihydroxy-3-(2-methylpropyl)naphthalen-1-yl]diazenyl]-2-hydroxybenzoic acid
- IUPAC
- 4-[[2,4-dihydroxy-3-(2-methylpropyl)naphthalen-1-yl]diazenyl]-2-hydroxybenzoic acid
Names & synonyms
NSC31344765862-23-9DTXSID10430359NSC-3134472-Hydroxy-4-{(2Z)-2-[4-hydroxy-3-(2-methylpropyl)-2-oxonaphthalen-1(2H)-ylidene]hydrazin-1-yl}benzoic acid
Database identifiers
- CAS
65862-23-9- PubChem CID
- 329646
- DTXSID
DTXSID10430359
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 569
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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