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89220-97-3 | Propanoic acid, 2-[4-(2-ethyl-2H-1,2,3-triazol-4-yl)phenoxy]-, ethyl ester
CAS No: 89220-97-3 Catalog No: AG00440S MDL No:
Product Description
Catalog Number:
AG00440S
Chemical Name:
Propanoic acid, 2-[4-(2-ethyl-2H-1,2,3-triazol-4-yl)phenoxy]-, ethyl ester
CAS Number:
89220-97-3
Molecular Formula:
C15H19N3O3
Molecular Weight:
289.3297
IUPAC Name:
ethyl 2-[4-(2-ethyltriazol-4-yl)phenoxy]propanoate
InChI:
InChI=1S/C15H19N3O3/c1-4-18-16-10-14(17-18)12-6-8-13(9-7-12)21-11(3)15(19)20-5-2/h6-11H,4-5H2,1-3H3
InChI Key:
PTJGDGVYKNLXPW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Oc1ccc(cc1)c1cnn(n1)CC)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.335g/mol
Monoisotopic Mass:
289.143g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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