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925179-53-9 | 5-(1,5-dimethyl-1H-pyrazol-4-yl)isoxazole
CAS No: 925179-53-9 Catalog No: AG00JC6G MDL No:MFCD04059145
Product Description
Catalog Number:
AG00JC6G
Chemical Name:
5-(1,5-dimethyl-1H-pyrazol-4-yl)isoxazole
CAS Number:
925179-53-9
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
MDL Number:
MFCD04059145
IUPAC Name:
5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole
InChI:
InChI=1S/C8H9N3O/c1-6-7(5-9-11(6)2)8-3-4-10-12-8/h3-5H,1-2H3
InChI Key:
BNPQWZDZRNPLAU-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1C)c1ccno1
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.18g/mol
Monoisotopic Mass:
163.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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