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(Q63409816)
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2-oxopropyl 2-phenylacetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
192.078644244
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₂O₃
0 references
canonical SMILES
CC(=O)COC(=O)CC1=CC=CC=C1
0 references
Identifiers
InChI
InChI=1S/C11H12O3/c1-9(12)8-14-11(13)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
0 references
InChIKey
MXZBBLQECZKOBV-UHFFFAOYSA-N
0 references
CAS Registry Number
5215-63-4
0 references
PubChem CID
245441
1 reference
matched by identifier from
InChIKey
InChIKey
MXZBBLQECZKOBV-UHFFFAOYSA-N
UniChem compound ID
7734349
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP004761
0 references
DSSTox substance ID
DTXSID60288726
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
MXZBBLQECZKOBV-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40239872
0 references
NSC number
57402
0 references
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