Einecs 275-980-8
Basic information
- CAS
71750-53-3- Standard SMILES
CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O- InChIKey
GRSSMUQHIFFKOZ-UHFFFAOYSA-N- Molecular formula
- C37H35N3O7
- Average molar mass
- 633.7 g/mol
- Monoisotopic mass
- 633.24750046
Names & identifiers
- Preferred name
- Einecs 275-980-8
- IUPAC
- 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
Names & synonyms
EINECS 275-980-871750-53-34,4'-Methylenebis(3-hydroxy-2-naphthoic) acid, compound with N,N-diethyl-3-phenyl-1,2,4-oxadiazole-5-ethylamine (1:1)
Database identifiers
- CAS
71750-53-3- PubChem CID
- 91666596
- EC Number
- 275-980-8
Properties
Computed structural properties
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 796
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Related reactions
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Compound notes
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