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131032-93-4 | 9H-Xanthen-9-one, 1,3,5,7-tetramethoxy-
CAS No: 131032-93-4 Catalog No: AG000VDD MDL No:
Product Description
Catalog Number:
AG000VDD
Chemical Name:
9H-Xanthen-9-one, 1,3,5,7-tetramethoxy-
CAS Number:
131032-93-4
Molecular Formula:
C17H16O6
Molecular Weight:
316.3053
IUPAC Name:
1,3,5,7-tetramethoxyxanthen-9-one
InChI:
InChI=1S/C17H16O6/c1-19-9-5-11-16(18)15-12(21-3)6-10(20-2)7-13(15)23-17(11)14(8-9)22-4/h5-8H,1-4H3
InChI Key:
WOCVNFYOLVBBIP-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1)c(=O)c1c(o2)cc(cc1OC)OC
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.309g/mol
Monoisotopic Mass:
316.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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