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639030-17-4 | 2,1-Benzisoxazole, 1,3-dihydro-1-hydroxy-3-methyl- (9CI)
CAS No: 639030-17-4 Catalog No: AG00EO68 MDL No:
Product Description
Catalog Number:
AG00EO68
Chemical Name:
2,1-Benzisoxazole, 1,3-dihydro-1-hydroxy-3-methyl- (9CI)
CAS Number:
639030-17-4
IUPAC Name:
1-hydroxy-3-methyl-3H-2,1-benzoxazole
InChI:
InChI=1S/C8H9NO2/c1-6-7-4-2-3-5-8(7)9(10)11-6/h2-6,10H,1H3
InChI Key:
VDSOTTWQAZGDEJ-UHFFFAOYSA-N
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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