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Home > Other Building Blocks > 27770-13-4
27770-13-4 | 9H-Xanthen-9-one, 5-hydroxy-1-methoxy-
CAS No: 27770-13-4 Catalog No: AG002UPC MDL No:
Product Description
Catalog Number:
AG002UPC
Chemical Name:
9H-Xanthen-9-one, 5-hydroxy-1-methoxy-
CAS Number:
27770-13-4
Molecular Formula:
C14H10O4
Molecular Weight:
242.2268
IUPAC Name:
5-hydroxy-1-methoxyxanthen-9-one
InChI:
InChI=1S/C14H10O4/c1-17-10-6-3-7-11-12(10)13(16)8-4-2-5-9(15)14(8)18-11/h2-7,15H,1H3
InChI Key:
GCAMSSLNXVYMKS-UHFFFAOYSA-N
SMILES:
COc1cccc2c1c(=O)c1c(o2)c(O)ccc1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.23g/mol
Monoisotopic Mass:
242.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Xanthones from roots of Calophyllum thwaitesii and their bioactivity. | Natural product research 20090101 |
| Cytotoxic and antimicrobial coumarins from Mammea africana. | Annals of tropical medicine and parasitology 20041001 |
| Biologically active alkylated coumarins from Kayea assamica. | Phytochemistry 20030901 |
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