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Home > Pyridines > 857653-94-2
857653-94-2 | [3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanol
CAS No: 857653-94-2 Catalog No: AG00G4LY MDL No:MFCD12198486
Product Description
Catalog Number:
AG00G4LY
Chemical Name:
[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanol
CAS Number:
857653-94-2
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD12198486
IUPAC Name:
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
InChI:
InChI=1S/C8H7N3O2/c12-5-7-10-8(11-13-7)6-1-3-9-4-2-6/h1-4,12H,5H2
InChI Key:
ZINMZWYBMIZQEP-UHFFFAOYSA-N
SMILES:
OCc1onc(n1)c1ccncc1
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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