Basic information
- CAS
4578-66-9- Standard SMILES
O=C(Oc1ccccc1C(=O)O)c1ccccc1- InChIKey
QSOVSKMNRYAVJR-UHFFFAOYSA-N- Molecular formula
- C14H10O4
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.0579088
Names & identifiers
- Preferred name
- 2-(Benzoyloxy)benzoic acid
- IUPAC
- 2-benzoyloxybenzoic acid
- English name
- 2-benzoyloxybenzoic acid
- Molecular formula
- C14H10O4
- Molecular weight
- 242.23
Names & synonyms
2-(benzoyloxy)benzoic acid4578-66-92-Benzoyloxybenzoic acidBenzoic acid, 2-(benzoyloxy)-EINECS 224-963-3MFCD02182258BenzoylsalicylsaureAL-398/250170222-phenylcarbonyloxybenzoic acidSCHEMBL1979275SCHEMBL6970918SCHEMBL30505635
Show more names
DTXSID70963436QSOVSKMNRYAVJR-UHFFFAOYSA-NBENZOIC ACID, 2-(BENZOYLOXYSBB099558SY491034NS00048019G70773
Database identifiers
- CAS
4578-66-9- PubChem CID
- 78331
- DTXSID
DTXSID70963436- EC Number
- 224-963-3
- Nikkaji
- J297.830J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Melting point
- 131 °C · 131 °C(Solv: hexane (110-54-3))
- Boiling point
- 474.7 · 474.7±28.0 °C(Predicted)
- Density
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- pka
- 3.13 · 3.13±0.36(Predicted)
Chemistry & industry
Suppliers7 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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