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Home > Other Building Blocks > 120-62-7
120-62-7 | 1,3-Benzodioxole, 5-[2-(octylsulfinyl)propyl]-
CAS No: 120-62-7 Catalog No: AG000Q0N MDL No:
Product Description
Catalog Number:
AG000Q0N
Chemical Name:
1,3-Benzodioxole, 5-[2-(octylsulfinyl)propyl]-
CAS Number:
120-62-7
Molecular Formula:
C18H28O3S
Molecular Weight:
324.4781
IUPAC Name:
5-(2-octylsulfinylpropyl)-1,3-benzodioxole
InChI:
InChI=1S/C18H28O3S/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17/h9-10,13,15H,3-8,11-12,14H2,1-2H3
InChI Key:
ATTZFSUZZUNHBP-UHFFFAOYSA-N
SMILES:
CCCCCCCCS(=O)C(Cc1ccc2c(c1)OCO2)C
EC Number:
204-412-3
NSC Number:
8400
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.176g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.479g/mol
Monoisotopic Mass:
324.176g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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