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76510-83-3 | Propanedioic acid, methyl[4-(2-thiazolyloxy)phenyl]-, diethyl ester
CAS No: 76510-83-3 Catalog No: AG005BLL MDL No:
Product Description
Catalog Number:
AG005BLL
Chemical Name:
Propanedioic acid, methyl[4-(2-thiazolyloxy)phenyl]-, diethyl ester
CAS Number:
76510-83-3
Molecular Formula:
C17H19NO5S
Molecular Weight:
349.4015
IUPAC Name:
diethyl 2-methyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanedioate
InChI:
InChI=1S/C17H19NO5S/c1-4-21-14(19)17(3,15(20)22-5-2)12-6-8-13(9-7-12)23-16-18-10-11-24-16/h6-11H,4-5H2,1-3H3
InChI Key:
PCJYQWSZUIMKNJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(cc1)Oc1nccs1)(C(=O)OCC)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.098g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.401g/mol
Monoisotopic Mass:
349.098g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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