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145508-91-4 | 1,2-Benzisoxazole,7-methoxy-3-methyl-(9CI)
CAS No: 145508-91-4 Catalog No: AG00AUUD MDL No:
Product Description
Catalog Number:
AG00AUUD
Chemical Name:
1,2-Benzisoxazole,7-methoxy-3-methyl-(9CI)
CAS Number:
145508-91-4
IUPAC Name:
7-methoxy-3-methyl-1,2-benzoxazole
InChI:
InChI=1S/C9H9NO2/c1-6-7-4-3-5-8(11-2)9(7)12-10-6/h3-5H,1-2H3
InChI Key:
WJXLGUAJQSIWCH-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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