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28917-02-4 | 9H-Xanthene-1,3-dicarboxylic acid, 8-hydroxy-9-oxo-
CAS No: 28917-02-4 Catalog No: AG002X2G MDL No:
Product Description
Catalog Number:
AG002X2G
Chemical Name:
9H-Xanthene-1,3-dicarboxylic acid, 8-hydroxy-9-oxo-
CAS Number:
28917-02-4
Molecular Formula:
C15H8O7
Molecular Weight:
300.2198
IUPAC Name:
8-hydroxy-9-oxoxanthene-1,3-dicarboxylic acid
InChI:
InChI=1S/C15H8O7/c16-8-2-1-3-9-12(8)13(17)11-7(15(20)21)4-6(14(18)19)5-10(11)22-9/h1-5,16H,(H,18,19)(H,20,21)
InChI Key:
KSDHRLBMSUYFBZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc2c1c(=O)c1c(o2)cccc1O)C(=O)O
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.027g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
300.222g/mol
Monoisotopic Mass:
300.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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