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ZINC00336085,AN-655/41039962, methyl 2-(4-chloro-2-formylphenoxy)aceta

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摘 要:ZINC00336085,AN-655/41039962, methyl 2-(4-chloro-2-formylphenoxy)acetate,Canonical SMILES: COC(=O)COC1=C(C=C(C=C1)Cl)C=O,InChI: InChI=1/C10H9ClO4/c1-14-10(13)6-15-9-3-2-8(11)4-7(9)5-12/h2-5H,6H2,1H3,Molecular Weight228.62906 [g/mol]Molecular FormulaC
[Synonyms]
ZINC00336085
AN-655/41039962

[Structure]
ZINC00336085,AN-655/41039962, methyl 2-(4-chloro-2-formylphenoxy)aceta

[ Properties Computed from Structure]
Molecular Weight228.62906 [g/mol]
Molecular FormulaC10H9ClO4
XLogP2
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count5
Exact Mass228.018936
MonoIsotopic Mass228.018936
Topological Polar Surface Area52.6
Heavy Atom Count15
Formal Charge0
Complexity232
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 2-(4-chloro-2-formylphenoxy)acetate
Canonical SMILES: COC(=O)COC1=C(C=C(C=C1)Cl)C=O
InChI: InChI=1/C10H9ClO4/c1-14-10(13)6-15-9-3-2-8(11)4-7(9)5-12/h2-5H,6H2,1H3

 
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