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129684-08-8 | 1,3-Benzodioxole, 5-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-
CAS No: 129684-08-8 Catalog No: AG000TKW MDL No:
Product Description
Catalog Number:
AG000TKW
Chemical Name:
1,3-Benzodioxole, 5-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-
CAS Number:
129684-08-8
Molecular Formula:
C21H26O4
Molecular Weight:
342.4287
IUPAC Name:
5-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,3-benzodioxole
InChI:
InChI=1S/C21H26O4/c1-14(9-16-5-7-18(22-3)20(11-16)23-4)15(2)10-17-6-8-19-21(12-17)25-13-24-19/h5-8,11-12,14-15H,9-10,13H2,1-4H3
InChI Key:
ZANBLNRUVUOABN-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CC(C(Cc1ccc2c(c1)OCO2)C)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.183g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.435g/mol
Monoisotopic Mass:
342.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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