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114972-94-0 | Benzofuran, 2,3-dihydro-4,6-dimethoxy-2-(1-methylethenyl)-
CAS No: 114972-94-0 Catalog No: AG000FIO MDL No:
Product Description
Catalog Number:
AG000FIO
Chemical Name:
Benzofuran, 2,3-dihydro-4,6-dimethoxy-2-(1-methylethenyl)-
CAS Number:
114972-94-0
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
4,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran
InChI:
InChI=1S/C13H16O3/c1-8(2)11-7-10-12(15-4)5-9(14-3)6-13(10)16-11/h5-6,11H,1,7H2,2-4H3
InChI Key:
LARLKGWCSHGPBQ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc2c1CC(O2)C(=C)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Absolute structures of some naturally occurring isopropenyldihydrobenzofurans, remirol, remiridiol, angenomalin, and isoangenomalin. | The Journal of organic chemistry 20030808 |
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