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26530-07-4 | 3(2H)-Isothiazolone, 2-dodecyl-
CAS No: 26530-07-4 Catalog No: AG002TL4 MDL No:
Product Description
Catalog Number:
AG002TL4
Chemical Name:
3(2H)-Isothiazolone, 2-dodecyl-
CAS Number:
26530-07-4
Molecular Formula:
C15H27NOS
Molecular Weight:
269.4460
IUPAC Name:
2-dodecyl-1,2-thiazol-3-one
InChI:
InChI=1S/C15H27NOS/c1-2-3-4-5-6-7-8-9-10-11-13-16-15(17)12-14-18-16/h12,14H,2-11,13H2,1H3
InChI Key:
XNZFZRQEAZMSIS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCn1sccc1=O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.181g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.447g/mol
Monoisotopic Mass:
269.181g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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