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Methyl 2-methyl-2-methoxy-3-hydroxyindan-1-one-3-carboxylate methyl 1-

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摘 要:Methyl 2-methyl-2-methoxy-3-hydroxyindan-1-one-3-carboxylate methyl 1-hydroxy-2-methoxy-2-methyl-3-oxoindene-1-carboxylate,Canonical SMILES: CC1(C(=O)C2=CC=CC=C2C1(C(=O)OC)O)OC,InChI: InChI=1/C13H14O5/c1-12(18-3)10(14)8-6-4-5-7-9(8)13(12,,16)11(15)17
[Synonyms]
Methyl 2-methyl-2-methoxy-3-hydroxyindan-1-one-3-carboxylate
[Structure]
Methyl 2-methyl-2-methoxy-3-hydroxyindan-1-one-3-carboxylate methyl 1-

[ Properties Computed from Structure]
Molecular Weight250.24726 [g/mol]
Molecular FormulaC13H14O5
XLogP0.2
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count3
Exact Mass250.084124
MonoIsotopic Mass250.084124
Topological Polar Surface Area72.8
Heavy Atom Count18
Formal Charge0
Complexity380
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count2
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: methyl 1-hydroxy-2-methoxy-2-methyl-3-oxoindene-1-carboxylate
Canonical SMILES: CC1(C(=O)C2=CC=CC=C2C1(C(=O)OC)O)OC
InChI: InChI=1/C13H14O5/c1-12(18-3)10(14)8-6-4-5-7-9(8)13(12,
16)11(15)17-2/h4-7,16H,1-3H3

 
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