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(Q72469039)
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English
Diethyl 1,3-acetonedicarboxylate
chemical compound
Diethyl 3-oxoglutarate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
202.084123548
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₁₄O₅
0 references
canonical SMILES
CCOC(=O)CC(=O)CC(=O)OCC
0 references
Identifiers
InChI
InChI=1S/C9H14O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h3-6H2,1-2H3
0 references
InChIKey
ZSANYRMTSBBUCA-UHFFFAOYSA-N
0 references
CAS Registry Number
105-50-0
1 reference
InChIKey
ZSANYRMTSBBUCA-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=105-50-0
PubChem CID
66045
1 reference
matched by identifier from
InChIKey
InChIKey
ZSANYRMTSBBUCA-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL155563
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZSANYRMTSBBUCA-UHFFFAOYSA-N
UniChem compound ID
4939904
1 reference
stated in
UniChem
NMRShiftDB structure ID
10016869
1 reference
matched by identifier from
InChIKey
InChIKey
ZSANYRMTSBBUCA-UHFFFAOYSA-N
DSSTox substance ID
DTXSID1059317
1 reference
matched by identifier from
InChIKey
InChIKey
ZSANYRMTSBBUCA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID8032914
0 references
NSC number
9013
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EC number
203-302-2
0 references
ECHA Substance Infocard ID
100.003.003
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.003.003
retrieved
29 December 2019
title
Diethyl 3-oxoglutarate
(English)
quotation
CAS no.: 105-50-0
(English)
AICS Chemical ID (BEING DELETED)
2586
0 references
UNII
Q0CC9NL00V
1 reference
matched by identifier from
InChIKey
InChIKey
ZSANYRMTSBBUCA-UHFFFAOYSA-N
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