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Home > Other Building Blocks > 2054-37-7
2054-37-7 | 9H-Xanthen-9-one, 1,3,6,7-tetrakis(acetyloxy)-
CAS No: 2054-37-7 Catalog No: AG002A2P MDL No:
Product Description
Catalog Number:
AG002A2P
Chemical Name:
9H-Xanthen-9-one, 1,3,6,7-tetrakis(acetyloxy)-
CAS Number:
2054-37-7
Molecular Formula:
C21H16O10
Molecular Weight:
428.3457
IUPAC Name:
(1,6,7-triacetyloxy-9-oxoxanthen-3-yl) acetate
InChI:
InChI=1S/C21H16O10/c1-9(22)27-13-5-18(30-12(4)25)20-19(6-13)31-15-8-17(29-11(3)24)16(28-10(2)23)7-14(15)21(20)26/h5-8H,1-4H3
InChI Key:
TWKVIVQREBQLIB-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(OC(=O)C)c2c(c1)oc1c(c2=O)cc(c(c1)OC(=O)C)OC(=O)C
Properties
Complexity:
761
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.074g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.349g/mol
Monoisotopic Mass:
428.074g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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