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172475-36-4 | Isoxazole, 5-methyl-3-(1H-pyrazol-1-ylmethyl)- (9CI)
CAS No: 172475-36-4 Catalog No: AG00B41F MDL No:
Product Description
Catalog Number:
AG00B41F
Chemical Name:
Isoxazole, 5-methyl-3-(1H-pyrazol-1-ylmethyl)- (9CI)
CAS Number:
172475-36-4
IUPAC Name:
5-methyl-3-(pyrazol-1-ylmethyl)-1,2-oxazole
InChI:
InChI=1S/C8H9N3O/c1-7-5-8(10-12-7)6-11-4-2-3-9-11/h2-5H,6H2,1H3
InChI Key:
ZXLPBSORSHZDQY-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:
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:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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