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Espirosal,Norgesic,Phlogont,Rheumacyl,Spirosal,Sarocol,Glysal,Glykolsa

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摘 要:Espirosal,Norgesic,Phlogont,Rheumacyl,Spirosal,Sarocol,Glysal,Glykolsalicylat,Traumasenex,Kytta-gel, 2-hydroxyethyl 2-hydroxybenzoate,Canonical SMILES: C1=CC=C(C(=C1)C(=O)OCCO)O,InChI: InChI=1/C9H10O4/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,10-11H,5-6H
[Synonyms]
Espirosal
Norgesic
Phlogont
Rheumacyl
Spirosal
Sarocol
Glysal
Glykolsalicylat
Traumasenex
Kytta-gel

[Structure]
Espirosal,Norgesic,Phlogont,Rheumacyl,Spirosal,Sarocol,Glysal,Glykolsa

[ Properties Computed from Structure]
Molecular Weight182.1733 [g/mol]
Molecular FormulaC9H10O4
XLogP1.8
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count4
Tautomer Count4
Exact Mass182.057909
MonoIsotopic Mass182.057909
Topological Polar Surface Area66.8
Heavy Atom Count13
Formal Charge0
Complexity169
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: 2-hydroxyethyl 2-hydroxybenzoate
Canonical SMILES: C1=CC=C(C(=C1)C(=O)OCCO)O
InChI: InChI=1/C9H10O4/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,10-11H,5-6H2

 
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