200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 139545-15-6
139545-15-6 | 1,3-Propanedione, 1,3-bis(2,3,5-trihydroxyphenyl)-
CAS No: 139545-15-6 Catalog No: AG001B8G MDL No:
Product Description
Catalog Number:
AG001B8G
Chemical Name:
1,3-Propanedione, 1,3-bis(2,3,5-trihydroxyphenyl)-
CAS Number:
139545-15-6
Molecular Formula:
C15H12O8
Molecular Weight:
320.2510
IUPAC Name:
1,3-bis(2,3,5-trihydroxyphenyl)propane-1,3-dione
InChI:
InChI=1S/C15H12O8/c16-6-1-8(14(22)12(20)3-6)10(18)5-11(19)9-2-7(17)4-13(21)15(9)23/h1-4,16-17,20-23H,5H2
InChI Key:
LSAMLXCNTRALDM-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c(c(c1)C(=O)CC(=O)c1cc(O)cc(c1O)O)O
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.053g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
320.253g/mol
Monoisotopic Mass:
320.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.