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1415795-50-4 | 9H-Xanthen-9-one, 1,8-dihydroxy-2,3,5-trimethoxy-
CAS No: 1415795-50-4 Catalog No: AG001GLY MDL No:
Product Description
Catalog Number:
AG001GLY
Chemical Name:
9H-Xanthen-9-one, 1,8-dihydroxy-2,3,5-trimethoxy-
CAS Number:
1415795-50-4
Molecular Formula:
C16H14O7
Molecular Weight:
318.2782
IUPAC Name:
1,8-dihydroxy-2,3,5-trimethoxyxanthen-9-one
InChI:
InChI=1S/C16H14O7/c1-20-8-5-4-7(17)11-13(18)12-9(23-15(8)11)6-10(21-2)16(22-3)14(12)19/h4-6,17,19H,1-3H3
InChI Key:
YHSSNUSRPSUDRS-UHFFFAOYSA-N
SMILES:
COc1cc2oc3c(OC)ccc(c3c(=O)c2c(c1OC)O)O
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.074g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.281g/mol
Monoisotopic Mass:
318.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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