3-Methyl-5-((4-((4-sulphophenyl)azo)phenyl)azo)salicylic acid
Basic information
- CAS
6406-37-7- Standard SMILES
Cc1cc(N=Nc2ccc(N=Nc3ccc(S(=O)(=O)O)cc3)cc2)cc(C(=O)O)c1O- InChIKey
MZTTYRHRQVDPIL-UHFFFAOYSA-N- Molecular formula
- C20H16N4O6S
- Average molar mass
- 440.4 g/mol
- Monoisotopic mass
- 440.07905542
Overview
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Names & identifiers
- Preferred name
- 3-Methyl-5-((4-((4-sulphophenyl)azo)phenyl)azo)salicylic acid
- IUPAC
- 2-hydroxy-3-methyl-5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]benzoic acid
- English name
- 3-methyl-5-[[4-[(4-sulphophenyl)azo]phenyl]azo]salicylic acid
- Molecular formula
- C20H16N4O6S
- Molecular weight
- 440.43
Names & synonyms
93892-24-1EINECS 299-505-9CHEMBL12706603-Methyl-5-((4-((4-sulphophenyl)azo)phenyl)azo)salicylic acidFast Chrome Orange R2-Hydroxy-3-methyl-5-((4-((4-sulfophenyl)diazenyl)phenyl)diazenyl)benzoic acidNSC326196NSC-3261966406-37-72-Hydroxy-3-methyl-5-({4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)benzoic acidSCHEMBL9875674MZTTYRHRQVDPIL-UHFFFAOYSA-N
Show more names
3-methyl-5-[[4-[(4-sulphophenyl)azo]phenyl]azo]salicylic acid2-Hydroxy-3-methyl-5-[[4-[(4-sulfophenyl)azo]phenyl]azo]benzoic acid
DTXSID001131171BDBM50328842NS000914202-hydroxy-3-methyl-5-[(E)-[4-[(E)-(4-sulfophenyl)azo]phenyl]azo]benzoic acid2-Hydroxy-3-methyl-5-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]benzoic acid
Database identifiers
- CAS
6406-37-7、93892-24-1
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 767
Physicochemical properties
- Density
- 1.487 · 1.487±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.041 · -1.041±0.50(predicted)
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Compound notes
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