4-[2-(9,10-Dihydro-9,10-dioxo-1-anthracenyl)diazenyl]-3-hydroxy-2-naphthalenecarboxylic acid
Basic information
- CAS
51867-75-5- Standard SMILES
O=C(O)c1cc2ccccc2c(N=Nc2cccc3c2C(=O)c2ccccc2C3=O)c1O- InChIKey
FEIBQPLJMHRFMO-UHFFFAOYSA-N- Molecular formula
- C25H14N2O5
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 422.09027155
Names & identifiers
- Preferred name
- 4-[2-(9,10-Dihydro-9,10-dioxo-1-anthracenyl)diazenyl]-3-hydroxy-2-naphthalenecarboxylic acid
- IUPAC
- 4-[(9,10-dioxoanthracen-1-yl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
- English name
- 4-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-3-hydroxy-2-naphthoic acid
- Molecular formula
- C25H14N2O5
- Molecular weight
- 422.39
Names & synonyms
51867-75-54-[2-(9,10-Dihydro-9,10-dioxo-1-anthracenyl)diazenyl]-3-hydroxy-2-naphthalenecarboxylic acid4-(2-(9,10-Dihydro-9,10-dioxo-1-anthracenyl)diazenyl)-3-hydroxy-2-naphthalenecarboxylic acidRefChem:2870454-((9,10-Dihydro-9,10-dioxo-1-anthryl)azo)-3-hydroxy-2-naphthoic acid4-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-3-hydroxy-2-naphthoic acidEINECS 257-483-8FEIBQPLJMHRFMO-UHFFFAOYSA-NDTXSID2011198002-Naphthalenecarboxylic acid, 4-((9,10-dihydro-9,10-dioxo-1-anthracenyl)azo)-3-hydroxy-DB-228979NS00056923
Show more names
4-[[(9,10-Dihydro-9,10-dioxoanthracen)-1-yl]azo]-3-hydroxy-2-naphthalenecarboxylic acid2-Naphthalenecarboxylic acid, 4-[2-(9,10-dihydro-9,10-dioxo-1-anthracenyl)diazenyl]-3-hydroxy-
4-[(9,10-Dioxo-9,10-dihydroanthracen-1-yl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 797
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
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Compound notes
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