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457654-03-4 | Pyrazine, (3-methyl-5-isoxazolyl)- (9CI)
CAS No: 457654-03-4 Catalog No: AG00E6II MDL No:
Product Description
Catalog Number:
AG00E6II
Chemical Name:
Pyrazine, (3-methyl-5-isoxazolyl)- (9CI)
CAS Number:
457654-03-4
IUPAC Name:
3-methyl-5-pyrazin-2-yl-1,2-oxazole
InChI:
InChI=1S/C8H7N3O/c1-6-4-8(12-11-6)7-5-9-2-3-10-7/h2-5H,1H3
InChI Key:
MBBDLWRKPBAFEF-UHFFFAOYSA-N
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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