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814258-26-9 | 5-methoxy-2-[3-(3-methylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CAS No: 814258-26-9 Catalog No: AG00IS83 MDL No:MFCD28023540
Product Description
Catalog Number:
AG00IS83
Chemical Name:
5-methoxy-2-[3-(3-methylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CAS Number:
814258-26-9
Molecular Formula:
C15H13N3O3
Molecular Weight:
283.2820
MDL Number:
MFCD28023540
IUPAC Name:
5-methoxy-2-[3-(3-methylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
InChI:
InChI=1S/C15H13N3O3/c1-9-4-3-7-16-13(9)14-17-15(21-18-14)11-6-5-10(20-2)8-12(11)19/h3-8,19H,1-2H3
InChI Key:
VPEGQSSUJCNTAN-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)O)c1onc(n1)c1ncccc1C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.287g/mol
Monoisotopic Mass:
283.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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