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Home > Encyclopedia > 1,2-Benzisoxazol-3(2H)-one,4,5,6,7-tetrahydro-4-(methylamino)-,(4S)-(9CI)

1,2-Benzisoxazol-3(2H)-one,4,5,6,7-tetrahydro-4-(methylamino)-,(4S)-(9CI)

1,2-Benzisoxazol-3(2H)-one,4,5,6,7-tetrahydro-4-(methylamino)-,(4S)-(9CI) structure

1,2-Benzisoxazol-3(2H)-one,4,5,6,7-tetrahydro-4-(methylamino)-,(4S)-(9CI) 

structure
  • CAS No:

    685501-86-4

  • Formula:

    C8H12N2O2

  • Chemical Name:

    1,2-Benzisoxazol-3(2H)-one,4,5,6,7-tetrahydro-4-(methylamino)-,(4S)-(9CI)

  • Synonyms:

    CHEMBL151721;(S)-4-(Methylamino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol;4beta-(Methylamino)-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-ol

1,2-Benzisoxazol-3(2H)-one,4,5,6,7-tetrahydro-4-(methylamino)-,(4S)-(9CI) Basic Attributes

168.196

168.09

Characteristics

50.4

-0.1

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
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 1,2-Benzisoxazol-3(2H)-one,4,5,6,7-tetrahydro-4-(methylamino)-,(4S)-(9CI)

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