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89216-72-8 | 9H-Xanthene-3-carboxylic acid, 7-hydroxy-9-oxo-
CAS No: 89216-72-8 Catalog No: AG0044RU MDL No:
Product Description
Catalog Number:
AG0044RU
Chemical Name:
9H-Xanthene-3-carboxylic acid, 7-hydroxy-9-oxo-
CAS Number:
89216-72-8
Molecular Formula:
C14H8O5
Molecular Weight:
256.2103
IUPAC Name:
7-hydroxy-9-oxoxanthene-3-carboxylic acid
InChI:
InChI=1S/C14H8O5/c15-8-2-4-11-10(6-8)13(16)9-3-1-7(14(17)18)5-12(9)19-11/h1-6,15H,(H,17,18)
InChI Key:
NGYXHFDNYCVQND-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)C(=O)O
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.037g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.213g/mol
Monoisotopic Mass:
256.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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