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(Q82139991)
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English
Benzoic acid, 4-[(2S)-oxiranylmethoxy]-, methyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
208.073558864
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₁₂O₄
0 references
canonical SMILES
COC(=O)c1ccc(OCC2CO2)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(=O)C1=CC=C(C=C1)OC[C@@H]2CO2
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Identifiers
InChI
InChI=1S/C11H12O4/c1-13-11(12)8-2-4-9(5-3-8)14-6-10-7-15-10/h2-5,10H,6-7H2,1H3/t10-/m1/s1
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InChIKey
GVMPCQYYYYFGMV-SNVBAGLBSA-N
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CAS Registry Number
154872-58-9
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PubChem CID
931644
1 reference
matched by identifier from
InChIKey
InChIKey
GVMPCQYYYYFGMV-SNVBAGLBSA-N
UniChem compound ID
12648893
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50359015
1 reference
matched by identifier from
InChIKey
InChIKey
GVMPCQYYYYFGMV-SNVBAGLBSA-N
DSSTOX compound identifier
DTXCID00310070
0 references
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