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138793-31-4 | 1,3-Benzodioxol-5-ol, 6-(1,4-dimethoxy-2-naphthalenyl)-
CAS No: 138793-31-4 Catalog No: AG0019L3 MDL No:
Product Description
Catalog Number:
AG0019L3
Chemical Name:
1,3-Benzodioxol-5-ol, 6-(1,4-dimethoxy-2-naphthalenyl)-
CAS Number:
138793-31-4
Molecular Formula:
C19H16O5
Molecular Weight:
324.3273
IUPAC Name:
6-(1,4-dimethoxynaphthalen-2-yl)-1,3-benzodioxol-5-ol
InChI:
InChI=1S/C19H16O5/c1-21-16-8-14(19(22-2)12-6-4-3-5-11(12)16)13-7-17-18(9-15(13)20)24-10-23-17/h3-9,20H,10H2,1-2H3
InChI Key:
IMWGHLQCWGZEFI-UHFFFAOYSA-N
SMILES:
COc1c(cc(c2c1cccc2)OC)c1cc2OCOc2cc1O
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.332g/mol
Monoisotopic Mass:
324.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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