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89140-99-8 | 12H-Benzo[b]xanthen-12-one, 11-(acetyloxy)-3-methoxy-
CAS No: 89140-99-8 Catalog No: AG003XIQ MDL No:
Product Description
Catalog Number:
AG003XIQ
Chemical Name:
12H-Benzo[b]xanthen-12-one, 11-(acetyloxy)-3-methoxy-
CAS Number:
89140-99-8
Molecular Formula:
C20H14O5
Molecular Weight:
334.3222
IUPAC Name:
(3-methoxy-12-oxobenzo[b]xanthen-11-yl) acetate
InChI:
InChI=1S/C20H14O5/c1-11(21)24-20-14-6-4-3-5-12(14)9-17-18(20)19(22)15-8-7-13(23-2)10-16(15)25-17/h3-10H,1-2H3
InChI Key:
XZTMZERZIUHPCC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)oc1c(c2=O)c(OC(=O)C)c2c(c1)cccc2
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.084g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.327g/mol
Monoisotopic Mass:
334.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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