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Home > Other Building Blocks > 88318-10-9
88318-10-9 | 9,10-Anthracenedione, 2,6-bis(4-ethylphenoxy)-1,4,5,8-tetrahydroxy-
CAS No: 88318-10-9 Catalog No: AG0048GT MDL No:
Product Description
Catalog Number:
AG0048GT
Chemical Name:
9,10-Anthracenedione, 2,6-bis(4-ethylphenoxy)-1,4,5,8-tetrahydroxy-
CAS Number:
88318-10-9
Molecular Formula:
C30H24O8
Molecular Weight:
512.5068
IUPAC Name:
2,6-bis(4-ethylphenoxy)-1,4,5,8-tetrahydroxyanthracene-9,10-dione
InChI:
InChI=1S/C30H24O8/c1-3-15-5-9-17(10-6-15)37-21-13-19(31)23-25(27(21)33)29(35)24-20(32)14-22(28(34)26(24)30(23)36)38-18-11-7-16(4-2)8-12-18/h5-14,31-34H,3-4H2,1-2H3
InChI Key:
ZEEHJGCIONWUBJ-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)Oc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)c(cc1O)Oc1ccc(cc1)CC
Properties
Complexity:
764
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.147g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
512.514g/mol
Monoisotopic Mass:
512.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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