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101860-51-9 | 2-Thiazolidinone, 4-acetyl-3-[(4-methoxyphenyl)methyl]-, (4R)-
CAS No: 101860-51-9 Catalog No: AG0005RL MDL No:
Product Description
Catalog Number:
AG0005RL
Chemical Name:
2-Thiazolidinone, 4-acetyl-3-[(4-methoxyphenyl)methyl]-, (4R)-
CAS Number:
101860-51-9
Molecular Formula:
C13H15NO3S
Molecular Weight:
265.3281
IUPAC Name:
(4R)-4-acetyl-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one
InChI:
InChI=1S/C13H15NO3S/c1-9(15)12-8-18-13(16)14(12)7-10-3-5-11(17-2)6-4-10/h3-6,12H,7-8H2,1-2H3/t12-/m0/s1
InChI Key:
WJKUDHXSJQWMFN-LBPRGKRZSA-N
SMILES:
COc1ccc(cc1)CN1C(=O)SC[C@H]1C(=O)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
265.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.327g/mol
Monoisotopic Mass:
265.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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