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861397-42-4 | Propanoic acid, 3-ethoxy-3-[[2-(methylthio)phenyl]imino]-, ethyl ester
CAS No: 861397-42-4 Catalog No: AG004TK8 MDL No:
Product Description
Catalog Number:
AG004TK8
Chemical Name:
Propanoic acid, 3-ethoxy-3-[[2-(methylthio)phenyl]imino]-, ethyl ester
CAS Number:
861397-42-4
Molecular Formula:
C14H19NO3S
Molecular Weight:
281.3706
IUPAC Name:
ethyl 3-ethoxy-3-(2-methylsulfanylphenyl)iminopropanoate
InChI:
InChI=1S/C14H19NO3S/c1-4-17-13(10-14(16)18-5-2)15-11-8-6-7-9-12(11)19-3/h6-9H,4-5,10H2,1-3H3
InChI Key:
WLEOCIGVFBKXLI-UHFFFAOYSA-N
SMILES:
CCOC(=Nc1ccccc1SC)CC(=O)OCC
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.37g/mol
Monoisotopic Mass:
281.109g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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