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161187-80-0 | Thiazolium, 3-[2-(decyloxy)-2-oxoethyl]-4-methyl-, chloride (1:1)
CAS No: 161187-80-0 Catalog No: AG001S7Z MDL No:
Product Description
Catalog Number:
AG001S7Z
Chemical Name:
Thiazolium, 3-[2-(decyloxy)-2-oxoethyl]-4-methyl-, chloride (1:1)
CAS Number:
161187-80-0
Molecular Formula:
C16H28ClNO2S
Molecular Weight:
333.9170
IUPAC Name:
decyl 2-(4-methyl-1,3-thiazol-3-ium-3-yl)acetate;chloride
InChI:
InChI=1S/C16H28NO2S.ClH/c1-3-4-5-6-7-8-9-10-11-19-16(18)12-17-14-20-13-15(17)2;/h13-14H,3-12H2,1-2H3;1H/q+1;/p-1
InChI Key:
PTTCPXMKTUNUMO-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCOC(=O)C[n+]1cscc1C.[Cl-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.153g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.915g/mol
Monoisotopic Mass:
333.153g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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