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65685-52-1 | 1,2-Benzisoxazole,3,5,6-trimethyl-(9CI)
CAS No: 65685-52-1 Catalog No: AG00FJM6 MDL No:
Product Description
Catalog Number:
AG00FJM6
Chemical Name:
1,2-Benzisoxazole,3,5,6-trimethyl-(9CI)
CAS Number:
65685-52-1
IUPAC Name:
3,5,6-trimethyl-1,2-benzoxazole
InChI:
InChI=1S/C10H11NO/c1-6-4-9-8(3)11-12-10(9)5-7(6)2/h4-5H,1-3H3
InChI Key:
SDBCKBMXHBYHHZ-UHFFFAOYSA-N
Properties
Complexity:
171
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:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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