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6-Apmdc ,6-Amino-4,4,5,7,8-pentamethyldihydrocoumarin ,120372-42-1, 6-

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摘 要:6-Apmdc ,6-Amino-4,4,5,7,8-pentamethyldihydrocoumarin ,120372-42-1, 6-amino-4,4,5,7,8-pentamethylchroman-2-one,Canonical SMILES: CC1=C(C(=C2C(=C1C)OC(=O)CC2(C)C)C)N,InChI: InChI=1/C14H19NO2/c1-7-8(2)13-11(9(3)12(7)15)14(4,5)6-10(16)17-13/h6,,15H2,1-5
[Synonyms]
6-Apmdc
6-Amino-4,4,5,7,8-pentamethyldihydrocoumarin
120372-42-1

[Structure]
6-Apmdc ,6-Amino-4,4,5,7,8-pentamethyldihydrocoumarin ,120372-42-1, 6-

[ Properties Computed from Structure]
Molecular Weight233.30616 [g/mol]
Molecular FormulaC14H19NO2
XLogP2.3
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count0
Exact Mass233.141579
MonoIsotopic Mass233.141579
Topological Polar Surface Area52.3
Heavy Atom Count17
Formal Charge0
Complexity326
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 6-amino-4,4,5,7,8-pentamethylchroman-2-one
Canonical SMILES: CC1=C(C(=C2C(=C1C)OC(=O)CC2(C)C)C)N
InChI: InChI=1/C14H19NO2/c1-7-8(2)13-11(9(3)12(7)15)14(4,5)6-10(16)17-13/h6,
15H2,1-5H3

 
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