9,10-Dihydro-9,10-[1,2]benzenoanthracene-2,6,14-triol

Product Information

Molecular Formula:
C20H14O3
Molecular Weight:
302.32
Synonyms
2,6,14-trihydroxytriptene; 2,6,14-trioltriptycene; 9,10-Dihydro-9,10-o-benzenoanthracene-2,6,14-triol; 9,10-Dihydro-9,10-[1,2]benzenoanthracene-2,6,14-triol; Pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11,17-triol
IUPAC Name
pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11,17-triol
Canonical SMILES
C1=CC2=C(C=C1O)C3C4=C(C2C5=C3C=C(C=C5)O)C=C(C=C4)O
InChI
InChI=1S/C20H14O3/c21-10-3-6-15-16(7-10)19-13-4-1-11(22)8-17(13)20(15)18-9-12(23)2-5-14(18)19/h1-9,19-23H
InChI Key
PFZWJKWKWBNLFY-UHFFFAOYSA-N
Purity
97%

Computed Properties

XLogP3
3.8
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
302.094294304
Monoisotopic Mass
302.094294304
Topological Polar Surface Area
60.7
Heavy Atom Count
23
Formal Charge
0
Complexity
438
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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