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868754-42-1 | Benzenepropanoic acid,4-[2-(5-ethyl-2-pyridinyl)ethoxy]-, ethyl ester
CAS No: 868754-42-1 Catalog No: AG004LWA MDL No:
Product Description
Catalog Number:
AG004LWA
Chemical Name:
Benzenepropanoic acid,4-[2-(5-ethyl-2-pyridinyl)ethoxy]-, ethyl ester
CAS Number:
868754-42-1
Molecular Formula:
C20H25NO3
Molecular Weight:
327.4174
IUPAC Name:
ethyl 3-[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]propanoate
InChI:
InChI=1S/C20H25NO3/c1-3-16-5-9-18(21-15-16)13-14-24-19-10-6-17(7-11-19)8-12-20(22)23-4-2/h5-7,9-11,15H,3-4,8,12-14H2,1-2H3
InChI Key:
PGOQCGKYYXPSDW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(cc1)OCCc1ccc(cn1)CC)C
UNII:
Q2RVO1NCOQ
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.183g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.424g/mol
Monoisotopic Mass:
327.183g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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