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66033-79-2 | 1,2-Benzisoxazole,3-ethyl-6-methyl-(9CI)
CAS No: 66033-79-2 Catalog No: AG00FJMN MDL No:
Product Description
Catalog Number:
AG00FJMN
Chemical Name:
1,2-Benzisoxazole,3-ethyl-6-methyl-(9CI)
CAS Number:
66033-79-2
IUPAC Name:
3-ethyl-6-methyl-1,2-benzoxazole
InChI:
InChI=1S/C10H11NO/c1-3-9-8-5-4-7(2)6-10(8)12-11-9/h4-6H,3H2,1-2H3
InChI Key:
ZTZPAVFAOIUUTB-UHFFFAOYSA-N
Properties
Complexity:
160
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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