Basic information
- CAS
643-94-7- Standard SMILES
O=C(Oc1ccccc1OC(=O)c1ccccc1)c1ccccc1- InChIKey
LVTPRIAGCBEGPW-UHFFFAOYSA-N- Molecular formula
- C20H14O4
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.08920893
Names & identifiers
- Preferred name
- o-Phenylene dibenzoate
- IUPAC
- (2-benzoyloxyphenyl) benzoate
- English name
- o-phenylene dibenzoate
- Molecular formula
- C20H14O4
- Molecular weight
- 318.32
Names & synonyms
o-Phenylene dibenzoate1,2-phenylene dibenzoate643-94-7(2-benzoyloxyphenyl) benzoate1,2-Bis(benzoyloxy)benzene1,2-Benzenediol, 1,2-dibenzoate1,2-Benzenediol, dibenzoateNSC-405698pyrocatechol dibenzoate2-(Benzoyloxy)phenyl benzoatecatechol dibenzoateEINECS 211-405-9
Show more names
Dibenzoic acid o-phenylene ester
Brenzcatechindibenzoat1,2-DibenzoyloxybenzeneChemDiv3_000288benzene-1,2-diyl dibenzoateOprea1_205299Oprea1_501722SCHEMBL725404H4J46C7S7W
Database identifiers
- CAS
643-94-7- PubChem CID
- 69514
- DTXSID
DTXSID00214529- UNII
- H4J46C7S7W
- EC Number
- 211-405-9
- Nikkaji
- J205.921E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- FDA UNII
- 4 J46C7S7W · H4J46C7S7W
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
南京楷煜医药科技有限公司025-86160631; 18913801556 · [email protected]
苏州冉酶生物科技有限公司0512-0512-62793604 18015430729 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Related reactions
2 records
Compound notes
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