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114701-80-3 | 1,3-Benzodioxole, 5-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-
CAS No: 114701-80-3 Catalog No: AG000F34 MDL No:
Product Description
Catalog Number:
AG000F34
Chemical Name:
1,3-Benzodioxole, 5-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-
CAS Number:
114701-80-3
Molecular Formula:
C17H16O4
Molecular Weight:
284.3065
IUPAC Name:
5-[2-(3,5-dimethoxyphenyl)ethenyl]-1,3-benzodioxole
InChI:
InChI=1S/C17H16O4/c1-18-14-7-13(8-15(10-14)19-2)4-3-12-5-6-16-17(9-12)21-11-20-16/h3-10H,11H2,1-2H3
InChI Key:
FNPKDKVDXISDRN-UHFFFAOYSA-N
SMILES:
COc1cc(/C=C/c2ccc3c(c2)OCO3)cc(c1)OC
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.311g/mol
Monoisotopic Mass:
284.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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