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100160-77-8 | 1,6,11(2H)-Naphthacenetrione, 2-ethyl-3,4-dihydro-5,9-dihydroxy-
CAS No: 100160-77-8 Catalog No: AG00014Y MDL No:
Product Description
Catalog Number:
AG00014Y
Chemical Name:
1,6,11(2H)-Naphthacenetrione, 2-ethyl-3,4-dihydro-5,9-dihydroxy-
CAS Number:
100160-77-8
Molecular Formula:
C20H16O5
Molecular Weight:
336.3380
IUPAC Name:
2-ethyl-5,9-dihydroxy-3,4-dihydro-2H-tetracene-1,6,11-trione
InChI:
InChI=1S/C20H16O5/c1-2-9-3-5-11-14(17(9)22)8-15-16(19(11)24)20(25)12-6-4-10(21)7-13(12)18(15)23/h4,6-9,21,24H,2-3,5H2,1H3
InChI Key:
VCSBRHRDWRJYQY-UHFFFAOYSA-N
SMILES:
CCC1CCc2c(C1=O)cc1c(c2O)C(=O)c2c(C1=O)cc(cc2)O
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.1g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.343g/mol
Monoisotopic Mass:
336.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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