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89148-82-3 | 11H-Benzo[b]xanthene-6,11,12-trione, 3-methoxy-
CAS No: 89148-82-3 Catalog No: AG003XHX MDL No:
Product Description
Catalog Number:
AG003XHX
Chemical Name:
11H-Benzo[b]xanthene-6,11,12-trione, 3-methoxy-
CAS Number:
89148-82-3
Molecular Formula:
C18H10O5
Molecular Weight:
306.2690
IUPAC Name:
3-methoxybenzo[b]xanthene-6,11,12-trione
InChI:
InChI=1S/C18H10O5/c1-22-9-6-7-12-13(8-9)23-18-14(16(12)20)15(19)10-4-2-3-5-11(10)17(18)21/h2-8H,1H3
InChI Key:
GGPAEYUFELVOFQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)oc1c(c2=O)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.053g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.273g/mol
Monoisotopic Mass:
306.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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