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66607-95-2 | 1,2-Benzisoxazol-3(2H)-one,5-methoxy-(9CI)
CAS No: 66607-95-2 Catalog No: AG00FHG6 MDL No:
Product Description
Catalog Number:
AG00FHG6
Chemical Name:
1,2-Benzisoxazol-3(2H)-one,5-methoxy-(9CI)
CAS Number:
66607-95-2
IUPAC Name:
5-methoxy-1,2-benzoxazol-3-one
InChI:
InChI=1S/C8H7NO3/c1-11-5-2-3-7-6(4-5)8(10)9-12-7/h2-4H,1H3,(H,9,10)
InChI Key:
ZWYKCZNUTOPIQU-UHFFFAOYSA-N
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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