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13481-01-1 | Pyrazine, 4-isoxazolyl-
CAS No: 13481-01-1 Catalog No: AG007LRC MDL No:
Product Description
Catalog Number:
AG007LRC
Chemical Name:
Pyrazine, 4-isoxazolyl-
CAS Number:
13481-01-1
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
IUPAC Name:
3-(2H-pyrazin-1-yl)-1,2-oxazole
InChI:
InChI=1S/C7H7N3O/c1-6-11-9-7(1)10-4-2-8-3-5-10/h1-4,6H,5H2
InChI Key:
MOVGWQDHVDAFGY-UHFFFAOYSA-N
SMILES:
N1=CCN(C=C1)c1nocc1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.153g/mol
Monoisotopic Mass:
149.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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