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125769-47-3 | 9H-Xanthen-9-one, 2-acetyl-7-(2-hydroxyacetyl)-
CAS No: 125769-47-3 Catalog No: AG000OP3 MDL No:
Product Description
Catalog Number:
AG000OP3
Chemical Name:
9H-Xanthen-9-one, 2-acetyl-7-(2-hydroxyacetyl)-
CAS Number:
125769-47-3
Molecular Formula:
C17H12O5
Molecular Weight:
296.2742
IUPAC Name:
7-acetyl-1-(2-hydroxyacetyl)xanthen-9-one
InChI:
InChI=1S/C17H12O5/c1-9(19)10-5-6-14-12(7-10)17(21)16-11(13(20)8-18)3-2-4-15(16)22-14/h2-7,18H,8H2,1H3
InChI Key:
IGDBTSHALRBTOL-UHFFFAOYSA-N
SMILES:
OCC(=O)c1ccc2c(c1)c(=O)c1c(o2)ccc(c1)C(=O)C
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.278g/mol
Monoisotopic Mass:
296.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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