200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 83016-69-7
83016-69-7 | 1,3,8-TRIHYDROXY-2,4,6-TRIMETHOXY-9H-XANTHEN-9-ONE
CAS No: 83016-69-7 Catalog No: AG0053LH MDL No:
Product Description
Catalog Number:
AG0053LH
Chemical Name:
1,3,8-TRIHYDROXY-2,4,6-TRIMETHOXY-9H-XANTHEN-9-ONE
CAS Number:
83016-69-7
Molecular Formula:
C16H14O8
Molecular Weight:
334.2776
IUPAC Name:
1,3,8-trihydroxy-2,4,6-trimethoxyxanthen-9-one
InChI:
InChI=1S/C16H14O8/c1-21-6-4-7(17)9-8(5-6)24-14-10(11(9)18)12(19)15(22-2)13(20)16(14)23-3/h4-5,17,19-20H,1-3H3
InChI Key:
NQYVMORMBASBCH-UHFFFAOYSA-N
SMILES:
COc1cc(O)c2c(c1)oc1c(c2=O)c(O)c(c(c1OC)O)OC
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.069g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
334.28g/mol
Monoisotopic Mass:
334.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
© 2019 Angene International Limited. All rights Reserved.