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489-51-0

489-51-0 Structure

489-51-0 Structure
IdentificationBack Directory
[Name]

4-Formyl-3,8-dihydroxy-9-(hydroxymethyl)-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
[CAS]

489-51-0
[Synonyms]

Protocetraric acid
4-Formyl-3,8-dihydroxy-9-(hydroxymethyl)-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 4-formyl-3,8-dihydroxy-9-(hydroxymethyl)-1,6-dimethyl-11-oxo-
[Molecular Formula]

C18H14O9
[MOL File]

489-51-0.mol
[Molecular Weight]

374.3
Chemical PropertiesBack Directory
[Boiling point ]

670.8±55.0 °C(Predicted)
[density ]

1.628±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[form ]

solid
[pka]

2.26±0.20(Predicted)
[InChI]

1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24)
[InChIKey]

VOXMONAUSQZPTP-UHFFFAOYSA-N
[SMILES]

O1c2c(c(c(c(c2C)C(=O)O)O)CO)OC(=O)c3c1c(c(cc3C)O)C=O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Skin Sens. 1
Hazard InformationBack Directory
[Definition]

ChEBI: Protocetraric acid is a carbonyl compound.
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