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129684-11-3 | 1,3-Benzodioxole, 5-(6,7-dimethoxy-2,3-dimethyl-1-naphthalenyl)-
CAS No: 129684-11-3 Catalog No: AG000TKV MDL No:
Product Description
Catalog Number:
AG000TKV
Chemical Name:
1,3-Benzodioxole, 5-(6,7-dimethoxy-2,3-dimethyl-1-naphthalenyl)-
CAS Number:
129684-11-3
Molecular Formula:
C21H20O4
Molecular Weight:
336.3811
IUPAC Name:
5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole
InChI:
InChI=1S/C21H20O4/c1-12-7-15-9-18(22-3)19(23-4)10-16(15)21(13(12)2)14-5-6-17-20(8-14)25-11-24-17/h5-10H,11H2,1-4H3
InChI Key:
PZXYEQWDASHMDR-UHFFFAOYSA-N
SMILES:
COc1cc2cc(C)c(c(c2cc1OC)c1ccc2c(c1)OCO2)C
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.136g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.387g/mol
Monoisotopic Mass:
336.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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