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145523-70-2 | 9H-Xanthen-9-one, 6-hydroxy-1,7-dimethoxy-
CAS No: 145523-70-2 Catalog No: AG001D5N MDL No:
Product Description
Catalog Number:
AG001D5N
Chemical Name:
9H-Xanthen-9-one, 6-hydroxy-1,7-dimethoxy-
CAS Number:
145523-70-2
Molecular Formula:
C15H12O5
Molecular Weight:
272.2528
IUPAC Name:
6-hydroxy-1,7-dimethoxyxanthen-9-one
InChI:
InChI=1S/C15H12O5/c1-18-10-4-3-5-11-14(10)15(17)8-6-13(19-2)9(16)7-12(8)20-11/h3-7,16H,1-2H3
InChI Key:
GIIJGJLVDMQDQS-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1O)oc1c(c2=O)c(OC)ccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.256g/mol
Monoisotopic Mass:
272.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Cytotoxic Coumarins from the Bark of Mammea siamensis. | Chemical & pharmaceutical bulletin 20101101 |
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