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1821-17-6 | 2H-1-Benzopyran-2-one, 3,3'-propylidenebis[4-hydroxy-
CAS No: 1821-17-6 Catalog No: AG0023DA MDL No:
Product Description
Catalog Number:
AG0023DA
Chemical Name:
2H-1-Benzopyran-2-one, 3,3'-propylidenebis[4-hydroxy-
CAS Number:
1821-17-6
Molecular Formula:
C21H16O6
Molecular Weight:
364.3481
IUPAC Name:
4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)propyl]chromen-2-one
InChI:
InChI=1S/C21H16O6/c1-2-11(16-18(22)12-7-3-5-9-14(12)26-20(16)24)17-19(23)13-8-4-6-10-15(13)27-21(17)25/h3-11,22-23H,2H2,1H3
InChI Key:
OGEBNMPQRNZRJK-UHFFFAOYSA-N
SMILES:
CCC(c1c(=O)oc2c(c1O)cccc2)c1c(=O)oc2c(c1O)cccc2
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.095g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
364.353g/mol
Monoisotopic Mass:
364.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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