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1248700-20-0 | 3-(pyridin-4-ylmethyl)-4,5-dihydro-1,2,4-oxadiazol-5-one
CAS No: 1248700-20-0 Catalog No: AG01ALK9 MDL No:MFCD16818287
Product Description
Catalog Number:
AG01ALK9
Chemical Name:
3-(pyridin-4-ylmethyl)-4,5-dihydro-1,2,4-oxadiazol-5-one
CAS Number:
1248700-20-0
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD16818287
IUPAC Name:
3-(pyridin-4-ylmethyl)-4H-1,2,4-oxadiazol-5-one
InChI:
InChI=1S/C8H7N3O2/c12-8-10-7(11-13-8)5-6-1-3-9-4-2-6/h1-4H,5H2,(H,10,11,12)
InChI Key:
KDPKAKIPSOQAOO-UHFFFAOYSA-N
SMILES:
O=c1onc([nH]1)Cc1ccncc1
Properties
Complexity:
234
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:
4
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:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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