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179070-85-0 | 1,2-Benzisoxazole-3-methanol,-alpha--methyl-(9CI)
CAS No: 179070-85-0 Catalog No: AG00AUUM MDL No:
Product Description
Catalog Number:
AG00AUUM
Chemical Name:
1,2-Benzisoxazole-3-methanol,-alpha--methyl-(9CI)
CAS Number:
179070-85-0
IUPAC Name:
1-(1,2-benzoxazol-3-yl)ethanol
InChI:
InChI=1S/C9H9NO2/c1-6(11)9-7-4-2-3-5-8(7)12-10-9/h2-6,11H,1H3
InChI Key:
RRIWYNSAPMIMPN-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:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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