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2631-86-9 | 8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one, 9-methoxy-7-phenyl-
CAS No: 2631-86-9 Catalog No: AG002SO3 MDL No:
Product Description
Catalog Number:
AG002SO3
Chemical Name:
8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one, 9-methoxy-7-phenyl-
CAS Number:
2631-86-9
Molecular Formula:
C17H12O5
Molecular Weight:
296.2742
IUPAC Name:
9-methoxy-7-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one
InChI:
InChI=1S/C17H12O5/c1-19-17-14-12(7-13-16(17)22-9-21-13)20-8-11(15(14)18)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChI Key:
VNNYFPLWNDDFTL-UHFFFAOYSA-N
SMILES:
COc1c2OCOc2cc2c1c(=O)c(co2)c1ccccc1
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.278g/mol
Monoisotopic Mass:
296.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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