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106718-49-4 | 2,1-Benzisoxazole,3-(1-methylethyl)-(9CI)
CAS No: 106718-49-4 Catalog No: AG009KBG MDL No:
Product Description
Catalog Number:
AG009KBG
Chemical Name:
2,1-Benzisoxazole,3-(1-methylethyl)-(9CI)
CAS Number:
106718-49-4
IUPAC Name:
3-propan-2-yl-2,1-benzoxazole
InChI:
InChI=1S/C10H11NO/c1-7(2)10-8-5-3-4-6-9(8)11-12-10/h3-7H,1-2H3
InChI Key:
UNFQKOHGNLHAQW-UHFFFAOYSA-N
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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