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(Q81993993)
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English
2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
289.131408088
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₉NO₄
0 references
canonical SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OCC
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Identifiers
InChI
InChI=1S/C16H19NO4/c1-4-17(5-2)12-8-7-11-9-13(15(18)20-6-3)16(19)21-14(11)10-12/h7-10H,4-6H2,1-3H3
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InChIKey
MSOLGAJLRIINNF-UHFFFAOYSA-N
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CAS Registry Number
28705-46-6
1 reference
InChIKey
MSOLGAJLRIINNF-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=28705-46-6
PubChem CID
120014
1 reference
matched by identifier from
InChIKey
InChIKey
MSOLGAJLRIINNF-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL1772718
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MSOLGAJLRIINNF-UHFFFAOYSA-N
UniChem compound ID
38971
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID2067406
1 reference
matched by identifier from
InChIKey
InChIKey
MSOLGAJLRIINNF-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID6037857
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