1,2-Benzisoxazol-3(2H)-one,4,5,6,7-tetrahydro-4-(methylamino)-(9CI)
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1,2-Benzisoxazol-3(2H)-one,4,5,6,7-tetrahydro-4-(methylamino)-(9CI)
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CAS No:
496812-67-0
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Formula:
C8H12N2O2
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Chemical Name:
1,2-Benzisoxazol-3(2H)-one,4,5,6,7-tetrahydro-4-(methylamino)-(9CI)
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Synonyms:
N-methyl-exo-THPO;CHEMBL149914;GTPL5419;SCHEMBL5725228;BDBM50427396;Q27087949;4-(methylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol;4-(methylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one;4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol
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CAS No:
1,2-Benzisoxazol-3(2H)-one,4,5,6,7-tetrahydro-4-(methylamino)-(9CI) Basic Attributes
168.19308
168.09
Computed Properties
Molecular Weight:168.19
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:168.089877630
Monoisotopic Mass:168.089877630
Topological Polar Surface Area:50.4
Heavy Atom Count:12
Complexity:247
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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