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89216-68-2 | 9H-Xanthene-3-carboxylic acid, 7-ethoxy-9-oxo-
CAS No: 89216-68-2 Catalog No: AG00460F MDL No:
Product Description
Catalog Number:
AG00460F
Chemical Name:
9H-Xanthene-3-carboxylic acid, 7-ethoxy-9-oxo-
CAS Number:
89216-68-2
Molecular Formula:
C16H12O5
Molecular Weight:
284.2635
IUPAC Name:
7-ethoxy-9-oxoxanthene-3-carboxylic acid
InChI:
InChI=1S/C16H12O5/c1-2-20-10-4-6-13-12(8-10)15(17)11-5-3-9(16(18)19)7-14(11)21-13/h3-8H,2H2,1H3,(H,18,19)
InChI Key:
PTLKNYWOXUZWHP-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)C(=O)O
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.267g/mol
Monoisotopic Mass:
284.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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