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(Q82049229)
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English
4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
246.0640568
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₀N₂O₄
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canonical SMILES
C1=CC(=CC=C1CN2C=CC(=O)NC2=O)C(=O)O
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Identifiers
InChI
InChI=1S/C12H10N2O4/c15-10-5-6-14(12(18)13-10)7-8-1-3-9(4-2-8)11(16)17/h1-6H,7H2,(H,16,17)(H,13,15,18)
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InChIKey
CZMAKWYBENYQFV-UHFFFAOYSA-N
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CAS Registry Number
4114-04-9
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PubChem CID
293830
1 reference
matched by identifier from
InChIKey
InChIKey
CZMAKWYBENYQFV-UHFFFAOYSA-N
UniChem compound ID
66152636
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70303772
1 reference
matched by identifier from
InChIKey
InChIKey
CZMAKWYBENYQFV-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40254904
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NSC number
161069
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