Obtusin

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Catalog Number
ACM70588055
Product Name
Obtusin
Structure
Structure
CAS
70588-05-5
Category
Heterocyclic Organic Compound
Synonyms
1,7-Dihydroxy-2,3,8-trimethoxy-6-methylanthracene-9,10-dione
IUPAC Name
1,7-Dihydroxy-2,3,8-trimethoxy-6-methylanthracene-9,10-dione
Molecular Weight
344.31
Molecular Formula
C18H16O7
Canonical SMILES
CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)OC)OC)O
InChI
InChI=1S/C18H16O7/c1-7-5-8-12(18(25-4)13(7)19)15(21)11-9(14(8)20)6-10(23-2)17(24-3)16(11)22/h5-6,19,22H,1-4H3
InChI Key
CFLNHFUPWNRWJA-UHFFFAOYSA-N
Boiling Point
614.9±55.0 °C
Melting Point
244.5-246.0 °C
Flash Point
227.0±25.0 °C
Density
1.409±0.06 g/ml
Appearance
Powder
Exact Mass
344.089600
LogP
4.10
pKa
6.16±0.20
PSA
102.29000
Refractive Index
1.634
Vapor Pressure
0.0±1.8 mmHg at 25°C
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