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118631-12-2 | 2,1-Benzisoxazole,4,5,6,7-tetrahydro-3-(methylthio)-(9CI)
CAS No: 118631-12-2 Catalog No: AG009KCG MDL No:
Product Description
Catalog Number:
AG009KCG
Chemical Name:
2,1-Benzisoxazole,4,5,6,7-tetrahydro-3-(methylthio)-(9CI)
CAS Number:
118631-12-2
IUPAC Name:
3-methylsulfanyl-4,5,6,7-tetrahydro-2,1-benzoxazole
InChI:
InChI=1S/C8H11NOS/c1-11-8-6-4-2-3-5-7(6)9-10-8/h2-5H2,1H3
InChI Key:
NKJSOALKVVKODE-UHFFFAOYSA-N
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.242g/mol
Monoisotopic Mass:
169.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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