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53967-71-8 | 2,1-Benzisoxazole,4-methoxy-3-methyl-(9CI)
CAS No: 53967-71-8 Catalog No: AG00DNX7 MDL No:
Product Description
Catalog Number:
AG00DNX7
Chemical Name:
2,1-Benzisoxazole,4-methoxy-3-methyl-(9CI)
CAS Number:
53967-71-8
IUPAC Name:
4-methoxy-3-methyl-2,1-benzoxazole
InChI:
InChI=1S/C9H9NO2/c1-6-9-7(10-12-6)4-3-5-8(9)11-2/h3-5H,1-2H3
InChI Key:
DNTCWZLVQWATDN-UHFFFAOYSA-N
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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