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113261-59-9 | Thiazolidine, 3-acetyl-4-methoxy-5,5-dimethyl-2-(1-methylethyl)-
CAS No: 113261-59-9 Catalog No: AG0079JY MDL No:
Product Description
Catalog Number:
AG0079JY
Chemical Name:
Thiazolidine, 3-acetyl-4-methoxy-5,5-dimethyl-2-(1-methylethyl)-
CAS Number:
113261-59-9
Molecular Formula:
C11H21NO2S
Molecular Weight:
231.3549
IUPAC Name:
1-(4-methoxy-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidin-3-yl)ethanone
InChI:
InChI=1S/C11H21NO2S/c1-7(2)9-12(8(3)13)10(14-6)11(4,5)15-9/h7,9-10H,1-6H3
InChI Key:
ZQVQYGGIPZJLKN-UHFFFAOYSA-N
SMILES:
COC1N(C(=O)C)C(SC1(C)C)C(C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.129g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.354g/mol
Monoisotopic Mass:
231.129g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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