1,2-Bis(3,4-dihydroxyphenyl)ethane-1,2-dione

HCID 238232
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Basic information

CAS
6309-15-5
Standard SMILES
O=C(C(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1
InChIKey
SBUXQLGVTMAJSE-UHFFFAOYSA-N
Molecular formula
C14H10O6
Average molar mass
274.22 g/mol
Monoisotopic mass
274.04773804

Names & identifiers

Preferred name
1,2-Bis(3,4-dihydroxyphenyl)ethane-1,2-dione
IUPAC
1,2-bis(3,4-dihydroxyphenyl)ethane-1,2-dione
English name
3,3,4,4-Tetrahydroxybenzyl
Molecular formula
C14H10O6
Molecular weight
274.23

Names & synonyms

6309-15-5MLS002608408NSC-42520SMR0015271573,3,4,4-TETRAHYDROXYBENZYL1,2-bis(3,4-dihydroxyphenyl)ethane-1,2-dioneNSC425201,2-Ethanedione,1,2-bis(3,4-dihydroxyphenyl)-cid_238232SCHEMBL1599733CHEMBL18678303,3',4,4'-tetrahydroxybenzil
Show more names
1,2-Ethanedione, 1,2-bis(3,4-dihydroxyphenyl)-
3,4,3',4'-tetrahydroxybenzilBDBM95459DTXSID20979042SBUXQLGVTMAJSE-UHFFFAOYSA-NHMS3078G10DS-008246BIS(3,4-DIHYDROXYPHENYL)ETHANE-1,2-DIONE1,2-bis[3,4-bis(oxidanyl)phenyl]ethane-1,2-dione

Database identifiers

CAS
6309-15-5
PubChem CID
238232
DTXSID
DTXSID20979042
ChEMBL
CHEMBL1867830

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
115 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
20

Physicochemical properties

Melting point
233 · 233-236 °C
Boiling point
639.7 · 639.7±55.0 °C(Predicted)
Density
1.575 · 1.575±0.06 g/cm3(Predicted)
pka
5.68 · 5.68±0.20(Predicted)

Chemistry & industry

Suppliers6 total

郑州汇聚化工有限公司13393710386 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
合肥诚权生物科技有限公司0551-0551130 13034045150
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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