Basic information
- CAS
4721-07-7- Standard SMILES
Oc1cc(O)cc(C=Cc2ccc(O)cc2O)c1- InChIKey
PDHAOJSHSJQANO-UHFFFAOYSA-N- Molecular formula
- C14H12O4
- Average molar mass
- 244.24 g/mol
- Monoisotopic mass
- 244.07355886
Overview
5-[2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol has been reported in Maclura pomifera, Gnetum montanum, and other organisms with data available.
Names & identifiers
- Preferred name
- 4-(3,5-Dihydroxystyryl)benzene-1,3-diol
- IUPAC
- 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
- English name
- puag-haad
- Molecular formula
- C14H12O4
- Molecular weight
- 244.24
Names & synonyms
4-(3,5-Dihydroxystyryl)benzene-1,3-diolSCHEMBL988358orb1222400SCHEMBL29763087DTXSID801030442(E)-2,3',4,5'-Stilbenetetrols47392,3a(2),4,5a(2)-StilbenetetrolAKOS025243670NP-0031434-[2-(3,5-DIHYDROXYPHENYL)VINYL]BENZENE-1,3-DIOLpuag-haad
Show more names
NSC 315550(E/Z)-OxyresveratrolTETRAHYDROXYSTILBENE2',3,4',5-Stilbenetetrol2,3',4,5'-Tetrahydroxystilbene3,5,2',4'-TetrahydroxystilbeneResveratrol Impurity 46 (Mixture of E/Z-isomers)4-[2-(3,5-Dihydroxyphenyl)ethenyl]-1,3-benzenediol
Database identifiers
- CAS
4721-07-7- PubChem CID
- 73197
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Melting point
- 190 · 190-192℃
- Boiling point
- 523.8 · 523.8±30.0 °C(Predicted)
- Density
- 1.468 · 1.468±0.06 g/cm3 (20 ºC 760 Torr)
- pka
- 9.29 · 9.29±0.10(Predicted)
Chemistry & industry
Suppliers7 total
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
成都埃法生物科技有限公司028-85142057, 18030712385 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
武汉拉那白医药化工有限公司027-81819291; 15307151931 · [email protected]
Additional notes
DefinitionChEBI: Oxyresveratrol is a stilbenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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