CID 7174622
Chemical Structure Depiction
5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxylate
InChI=1S/C10H7NO4/c12-7-3-1-2-6(4-7)9-5-8(10(13)14)11-15-9/h1-5,12H,(H,13,14)/p-1
ISLIVLUJZHTSRK-UHFFFAOYSA-M
C1=CC(=CC(=C1)O)C2=CC(=NO2)C(=O)[O-]
C10H6NO4-
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Property Value
Reference
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Molecular Weight
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204.16 g/mol
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XLogP3-AA
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2.2
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Hydrogen Bond Donor Count
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1
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Hydrogen Bond Acceptor Count
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5
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Rotatable Bond Count
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1
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Exact Mass
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204.02968267 g/mol
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Monoisotopic Mass
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204.02968267 g/mol
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Topological Polar Surface Area
Property Value
86.4 A^2
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Heavy Atom Count
Property Value
15
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Formal Charge
Property Value
-1
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Complexity
Property Value
240
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Isotope Atom Count
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0
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Defined Atom Stereocenter Count
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0
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Undefined Atom Stereocenter Count
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0
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Defined Bond Stereocenter Count
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0
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Undefined Bond Stereocenter Count
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0
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Covalently-Bonded Unit Count
Property Value
1
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Compound Is Canonicalized
Property Value
Yes
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