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28578-18-9 | 1,3-Benzodioxole, 5-(2,4-dimethyl-3,5,8,11-tetraoxatridec-1-yl)-
CAS No: 28578-18-9 Catalog No: AG002VR5 MDL No:
Product Description
Catalog Number:
AG002VR5
Chemical Name:
1,3-Benzodioxole, 5-(2,4-dimethyl-3,5,8,11-tetraoxatridec-1-yl)-
CAS Number:
28578-18-9
Molecular Formula:
C18H28O6
Molecular Weight:
340.4113
IUPAC Name:
5-[2-[1-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propyl]-1,3-benzodioxole
InChI:
InChI=1S/C18H28O6/c1-4-19-7-8-20-9-10-21-15(3)24-14(2)11-16-5-6-17-18(12-16)23-13-22-17/h5-6,12,14-15H,4,7-11,13H2,1-3H3
InChI Key:
KHTBBGYCVPFOEV-UHFFFAOYSA-N
SMILES:
CCOCCOCCOC(OC(Cc1ccc2c(c1)OCO2)C)C
NSC Number:
38155
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.416g/mol
Monoisotopic Mass:
340.189g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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