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6969-80-8 | 2H-Pyran-2-one,6-(1,3-benzodioxol-5-yl)- 4-methoxy-
CAS No: 6969-80-8 Catalog No: AG005IVW MDL No:
Product Description
Catalog Number:
AG005IVW
Chemical Name:
2H-Pyran-2-one,6-(1,3-benzodioxol-5-yl)- 4-methoxy-
CAS Number:
6969-80-8
Molecular Formula:
C13H10O5
Molecular Weight:
246.2155
IUPAC Name:
6-(1,3-benzodioxol-5-yl)-4-methoxypyran-2-one
InChI:
InChI=1S/C13H10O5/c1-15-9-5-11(18-13(14)6-9)8-2-3-10-12(4-8)17-7-16-10/h2-6H,7H2,1H3
InChI Key:
ZSJPJQCPMSZDJX-UHFFFAOYSA-N
SMILES:
COc1cc(=O)oc(c1)c1ccc2c(c1)OCO2
NSC Number:
68685
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.218g/mol
Monoisotopic Mass:
246.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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