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122993-74-2 | 2-Oxepanone, 7-(4,5-dihydroxy-10-oxo-9(10H)-anthracenylidene)-
CAS No: 122993-74-2 Catalog No: AG000JVS MDL No:
Product Description
Catalog Number:
AG000JVS
Chemical Name:
2-Oxepanone, 7-(4,5-dihydroxy-10-oxo-9(10H)-anthracenylidene)-
CAS Number:
122993-74-2
Molecular Formula:
C20H16O5
Molecular Weight:
336.3380
IUPAC Name:
7-(4,5-dihydroxy-10-oxoanthracen-9-ylidene)oxepan-2-one
InChI:
InChI=1S/C20H16O5/c21-13-7-3-5-11-17(15-9-1-2-10-16(23)25-15)12-6-4-8-14(22)19(12)20(24)18(11)13/h3-8,21-22H,1-2,9-10H2
InChI Key:
VBRIWDBNMYUZNO-UHFFFAOYSA-N
SMILES:
O=C1CCCCC(=C2c3cccc(c3C(=O)c3c2cccc3O)O)O1
Properties
Complexity:
563
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:
0
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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