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Structure

[4-Hydroxy-3-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)butyl]acetate

CAS
70979-72-5
Catalog Number
ACM70979725
Category
Other Products
Molecular Weight
402.352 g/mol
Molecular Formula
C20H18O9

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Specification

Synonyms
Versiconol acetate; [4-hydroxy-3-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)butyl] acetate;
IUPAC Name
[4-hydroxy-3-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)butyl] acetate
Canonical SMILES
CC(=O)OCCC(CO)C1=C(C=C2C(=C1O)C(=O)C3=C(C=C(C=C3C2=O)O)O)O
InChI Key
BWYUKBCRHDFWFF-UHFFFAOYSA-N
Boiling Point
754.4ºC at 760 mmHg
Flash Point
271.2ºC
Density
1.588g/cm³
Exact Mass
402.09500
H-Bond Acceptor
9
H-Bond Donor
5
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