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126127-93-3 | 1,3-Butanedione, 1-[2-[(2-methoxyphenoxy)methyl]-3-thiazolidinyl]-
CAS No: 126127-93-3 Catalog No: AG000RQB MDL No:
Product Description
Catalog Number:
AG000RQB
Chemical Name:
1,3-Butanedione, 1-[2-[(2-methoxyphenoxy)methyl]-3-thiazolidinyl]-
CAS Number:
126127-93-3
Molecular Formula:
C15H19NO4S
Molecular Weight:
309.3807
IUPAC Name:
1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]butane-1,3-dione
InChI:
InChI=1S/C15H19NO4S/c1-11(17)9-14(18)16-7-8-21-15(16)10-20-13-6-4-3-5-12(13)19-2/h3-6,15H,7-10H2,1-2H3
InChI Key:
FYOLSEYQFRHYTG-UHFFFAOYSA-N
SMILES:
COc1ccccc1OCC1SCCN1C(=O)CC(=O)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.38g/mol
Monoisotopic Mass:
309.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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