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177313-65-4 | 3-Thiazolidinepropanoic acid, 2-[(2-methoxyphenoxy)methyl]-β-oxo-, ethyl ester, (S)- (9CI)
CAS No: 177313-65-4 Catalog No: AG00258R MDL No:
Product Description
Catalog Number:
AG00258R
Chemical Name:
3-Thiazolidinepropanoic acid, 2-[(2-methoxyphenoxy)methyl]-β-oxo-, ethyl ester, (S)- (9CI)
CAS Number:
177313-65-4
Molecular Formula:
C16H21NO5S
Molecular Weight:
339.4066
IUPAC Name:
ethyl 3-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxopropanoate
InChI:
InChI=1S/C16H21NO5S/c1-3-21-16(19)10-14(18)17-8-9-23-15(17)11-22-13-7-5-4-6-12(13)20-2/h4-7,15H,3,8-11H2,1-2H3/t15-/m0/s1
InChI Key:
WSYVIAQNTFPTBI-HNNXBMFYSA-N
SMILES:
CCOC(=O)CC(=O)N1CCS[C@H]1COc1ccccc1OC
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
339.114g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.406g/mol
Monoisotopic Mass:
339.114g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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