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28578-07-6 | 1,3-Benzodioxole, 5-[1-(1-butoxyethoxy)propyl]-
CAS No: 28578-07-6 Catalog No: AG002VQ0 MDL No:
Product Description
Catalog Number:
AG002VQ0
Chemical Name:
1,3-Benzodioxole, 5-[1-(1-butoxyethoxy)propyl]-
CAS Number:
28578-07-6
Molecular Formula:
C16H24O4
Molecular Weight:
280.3594
IUPAC Name:
5-[1-(1-butoxyethoxy)propyl]-1,3-benzodioxole
InChI:
InChI=1S/C16H24O4/c1-4-6-9-17-12(3)20-14(5-2)13-7-8-15-16(10-13)19-11-18-15/h7-8,10,12,14H,4-6,9,11H2,1-3H3
InChI Key:
SCOFMOATLHSRRS-UHFFFAOYSA-N
SMILES:
CCCCOC(OC(c1ccc2c(c1)OCO2)CC)C
NSC Number:
29486
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.167g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.364g/mol
Monoisotopic Mass:
280.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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