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89216-74-0 | 9H-Xanthene-3-carboxylic acid, 7-hydroxy-9-oxo-, methyl ester
CAS No: 89216-74-0 Catalog No: AG0043Q9 MDL No:
Product Description
Catalog Number:
AG0043Q9
Chemical Name:
9H-Xanthene-3-carboxylic acid, 7-hydroxy-9-oxo-, methyl ester
CAS Number:
89216-74-0
Molecular Formula:
C15H10O5
Molecular Weight:
270.2369
IUPAC Name:
methyl 7-hydroxy-9-oxoxanthene-3-carboxylate
InChI:
InChI=1S/C15H10O5/c1-19-15(18)8-2-4-10-13(6-8)20-12-5-3-9(16)7-11(12)14(10)17/h2-7,16H,1H3
InChI Key:
SHEJPKPVJCOFLD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)oc1c(c2=O)cc(cc1)O
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.053g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.24g/mol
Monoisotopic Mass:
270.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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