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876162-22-0 | Butanoic acid, 4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]-
CAS No: 876162-22-0 Catalog No: AG004LQK MDL No:
Product Description
Catalog Number:
AG004LQK
Chemical Name:
Butanoic acid, 4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]-
CAS Number:
876162-22-0
Molecular Formula:
C18H16N2O4
Molecular Weight:
324.3306
IUPAC Name:
4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]butanoic acid
InChI:
InChI=1S/C18H16N2O4/c21-16(22)11-6-12-23-15-10-5-4-9-14(15)17-19-18(24-20-17)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,21,22)
InChI Key:
KCVRFAWIAFSMOS-UHFFFAOYSA-N
SMILES:
OC(=O)CCCOc1ccccc1c1noc(n1)c1ccccc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.336g/mol
Monoisotopic Mass:
324.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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