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methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate,Canoni

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摘 要: methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate,Canonical SMILES: COC1=C(C=CC(=C1)C2=NOC=C2C(=O)OC)O,InChI: InChI=1/C12H11NO5/c1-16-10-5-7(3-4-9(10)14)11-8(6-18-13-11)12(15)17-2/,h3-6,14H,1-2H3,Molecular Weight249.21944 [g/mol]Molecul
[Synonyms]

[Structure]
 methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate,Canoni

[ Properties Computed from Structure]
Molecular Weight249.21944 [g/mol]
Molecular FormulaC12H11NO5
XLogP2
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count4
Tautomer Count4
Exact Mass249.063722
MonoIsotopic Mass249.063722
Topological Polar Surface Area81.8
Heavy Atom Count18
Formal Charge0
Complexity298
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: methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate
Canonical SMILES: COC1=C(C=CC(=C1)C2=NOC=C2C(=O)OC)O
InChI: InChI=1/C12H11NO5/c1-16-10-5-7(3-4-9(10)14)11-8(6-18-13-11)12(15)17-2/
h3-6,14H,1-2H3

 
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