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88840-54-4 | Naphtho[2,3-d]-1,3-dioxole, 6-(6-methoxy-1,3-benzodioxol-5-yl)-
CAS No: 88840-54-4 Catalog No: AG004AIV MDL No:
Product Description
Catalog Number:
AG004AIV
Chemical Name:
Naphtho[2,3-d]-1,3-dioxole, 6-(6-methoxy-1,3-benzodioxol-5-yl)-
CAS Number:
88840-54-4
Molecular Formula:
C19H14O5
Molecular Weight:
322.3115
IUPAC Name:
6-(6-methoxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxole
InChI:
InChI=1S/C19H14O5/c1-20-15-8-19-18(23-10-24-19)7-14(15)12-3-2-11-5-16-17(22-9-21-16)6-13(11)4-12/h2-8H,9-10H2,1H3
InChI Key:
XSTGWPVQHDYBPL-UHFFFAOYSA-N
SMILES:
COc1cc2OCOc2cc1c1ccc2c(c1)cc1c(c2)OCO1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.084g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.316g/mol
Monoisotopic Mass:
322.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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