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116310-57-7 | Furo[2,3-f]-1,3-benzodioxole, 6-(2,4-dimethoxyphenyl)-7-methyl-
CAS No: 116310-57-7 Catalog No: AG000C6A MDL No:
Product Description
Catalog Number:
AG000C6A
Chemical Name:
Furo[2,3-f]-1,3-benzodioxole, 6-(2,4-dimethoxyphenyl)-7-methyl-
CAS Number:
116310-57-7
Molecular Formula:
C18H16O5
Molecular Weight:
312.3166
IUPAC Name:
6-(2,4-dimethoxyphenyl)-7-methylfuro[2,3-f][1,3]benzodioxole
InChI:
InChI=1S/C18H16O5/c1-10-13-7-16-17(22-9-21-16)8-15(13)23-18(10)12-5-4-11(19-2)6-14(12)20-3/h4-8H,9H2,1-3H3
InChI Key:
VNVHVCQPDWIEBN-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OC)c1oc2c(c1C)cc1c(c2)OCO1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.321g/mol
Monoisotopic Mass:
312.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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