7-Amino-3-methylphthalide
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7-Amino-3-methylphthalide
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CAS No:
148843-77-0
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Formula:
C9H9NO2
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Chemical Name:
7-Amino-3-methylphthalide
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Synonyms:
7-Amino-3-methylphthalide;1(3H)-Isobenzofuranone, 7-amino-3-methyl-;7-amino-3-methyl-3H-isobenzofuran-1-one;7-amino-3-methyl-2-benzofuran-1(3h)-one;7-amino-3-methyl-3H-2-benzofuran-1-one;7-amino-3-methylisobenzofuran-1(3H)-one;SCHEMBL1869956;CTK4C5938;DTXSID40333162;7-Amino-3-methyl-1(3H)-isobenzofuranone
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CAS No:
Characteristics
52.3
1.32
1.271
76-76.5 °C(Solv: ligroine (8032-32-4))
350.6±42.0 °C(Predicted)
195.7±25.4 °C
1.610
Computed Properties
Molecular Weight:163.17
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:163.063328530
Monoisotopic Mass:163.063328530
Topological Polar Surface Area:52.3
Heavy Atom Count:12
Complexity:205
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes