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257928-28-2 | 1,2-Benzisoxazol-7(4H)-one,5,6-dihydro-3-methoxy-(9CI)
CAS No: 257928-28-2 Catalog No: AG00BLI8 MDL No:
Product Description
Catalog Number:
AG00BLI8
Chemical Name:
1,2-Benzisoxazol-7(4H)-one,5,6-dihydro-3-methoxy-(9CI)
CAS Number:
257928-28-2
IUPAC Name:
3-methoxy-5,6-dihydro-4H-1,2-benzoxazol-7-one
InChI:
InChI=1S/C8H9NO3/c1-11-8-5-3-2-4-6(10)7(5)12-9-8/h2-4H2,1H3
InChI Key:
WTTVOHOURGVUPC-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:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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