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2,3,6,7,10,11-Hexahydroxytriphenylene Hydrate

Catalog Number
ACM4877809-2
Product Name
2,3,6,7,10,11-Hexahydroxytriphenylene Hydrate
Structure
CAS
4877-80-9
Category
Liquid Crystal (LC) Building Blocks
IUPAC Name
triphenylene-2,3,6,7,10,11-hexol
Molecular Weight
324.3g/mol
Molecular Formula
C18H12O6
Canonical SMILES
C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1O)O)O)O)O)O
InChI
InChI=1S/C18H12O6/c19-13-1-7-8(2-14(13)20)10-4-17(23)18(24)6-12(10)11-5-16(22)15(21)3-9(7)11/h1-6,19-24H
InChI Key
QMLILIIMKSKLES-UHFFFAOYSA-N
Complexity
364
Covalently-Bonded Unit Count
1
Exact Mass
324.063388g/mol
Formal Charge
0
Heavy Atom Count
24
MeSH Entry Terms
2,3,6,7,10,11-hexahydroxytriphenylene;HHTP cpd
Monoisotopic Mass
324.063388g/mol
Rotatable Bond Count
0
XLogP3
2.7
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