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76333-71-6 | Acetic acid,2-[(5S)-3-methyl-4-oxo-5-(1-piperidinyl)-2-thiazolidinylidene]-, ethyl ester
CAS No: 76333-71-6 Catalog No: AG005DZB MDL No:
Product Description
Catalog Number:
AG005DZB
Chemical Name:
Acetic acid,2-[(5S)-3-methyl-4-oxo-5-(1-piperidinyl)-2-thiazolidinylidene]-, ethyl ester
CAS Number:
76333-71-6
Molecular Formula:
C13H20N2O3S
Molecular Weight:
284.3745
IUPAC Name:
ethyl (2E)-2-[(5S)-3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene]acetate
InChI:
InChI=1S/C13H20N2O3S/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15/h9,13H,3-8H2,1-2H3/b10-9+/t13-/m0/s1
InChI Key:
ZCKKHYXUQFTBIK-LXKVQUBZSA-N
SMILES:
CCOC(=O)C=C1S[C@@H](C(=O)N1C)N1CCCCC1
EC Number:
278-423-7
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
284.119g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.374g/mol
Monoisotopic Mass:
284.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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