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Home > Other Building Blocks > 129277-53-8
129277-53-8 | 9H-Xanthen-9-one, 1,3-dihydroxy-2,5-dimethoxy-
CAS No: 129277-53-8 Catalog No: AG000Z1X MDL No:
Product Description
Catalog Number:
AG000Z1X
Chemical Name:
9H-Xanthen-9-one, 1,3-dihydroxy-2,5-dimethoxy-
CAS Number:
129277-53-8
Molecular Formula:
C15H12O6
Molecular Weight:
288.2522
IUPAC Name:
1,3-dihydroxy-2,5-dimethoxyxanthen-9-one
InChI:
InChI=1S/C15H12O6/c1-19-9-5-3-4-7-12(17)11-10(21-14(7)9)6-8(16)15(20-2)13(11)18/h3-6,16,18H,1-2H3
InChI Key:
FSHBRPRDVOJBQZ-UHFFFAOYSA-N
SMILES:
COc1c(O)cc2c(c1O)c(=O)c1c(o2)c(OC)ccc1
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.063g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.255g/mol
Monoisotopic Mass:
288.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Xanthone and antifungal constituents from Monnina obtusifolia. | Phytochemistry 19941001 |
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