Basic information
- CAS
41259-89-6- Standard SMILES
O=C(O)c1ccc(-c2nnc(-c3ccc(C(=O)O)cc3)o2)cc1- InChIKey
STSUEBBVKDPARU-UHFFFAOYSA-N- Molecular formula
- C16H10N2O5
- Average molar mass
- 310.26 g/mol
- Monoisotopic mass
- 310.05897142
Names & identifiers
- Preferred name
- 4,4'-(1,3,4-Oxadiazole-2,5-diyl)dibenzoic acid
- IUPAC
- 4-[5-(4-carboxyphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid
- English name
- Benzoic acid, 4,4'-(1,3,4-oxadiazole-2,5-diyl)bis-
- Molecular formula
- C16H10N2O5
- Molecular weight
- 310.26
Names & synonyms
41259-89-64,4'-(1,3,4-Oxadiazole-2,5-diyl)dibenzoic acidBenzoic acid, 4,4'-(1,3,4-oxadiazole-2,5-diyl)bis-4-[5-(4-carboxyphenyl)-1,3,4-oxadiazol-2-yl]benzoic acidAG-690/11629001orb3216956SCHEMBL11438341DTXSID703565212,5-bis(4-carboxylphenyl)-1,3,4-oxadiazole
Database identifiers
- CAS
41259-89-6- PubChem CID
- 825554
- DTXSID
DTXSID70356521- Nikkaji
- J1.062.956J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Melting point
- 360 °C · >360 °C
- Boiling point
- 585.4 · 585.4±60.0 °C(Predicted)
- Density
- 1.447 · 1.447±0.06 g/cm3(Predicted)
- pka
- 3.13 · 3.13±0.10(Predicted)
Chemistry & industry
Suppliers4 total
郑州汇聚化工有限公司13393710386 · [email protected]
安庆东禾生物技术有限公司15056029383 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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