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(Q63088091)
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dehydroacetic acid tautomer
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
168.042258736
dalton
1 reference
based on heuristic
inferred from InChI
tautomer of
dehydroacetic acid
0 references
chemical formula
C₈H₈O₄
0 references
canonical SMILES
CC1=CC(=O)C(C(=O)O1)C(=O)C
0 references
melting point
111
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
found in taxon
Streptomyces
1 reference
stated in
Comparative analysis of chemical constituents, antimicrobial and antioxidant activities of ethylacetate extracts of Polygonum cuspidatum and its endophytic actinomycete, Streptomyces sp. A0916
Identifiers
InChI
InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3
0 references
InChIKey
PGRHXDWITVMQBC-UHFFFAOYSA-N
1 reference
stated in
ChEBI release 2020-09-01
CAS Registry Number
520-45-6
1 reference
InChIKey
PGRHXDWITVMQBC-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=520-45-6
PubChem CID
122903
1 reference
matched by identifier from
InChIKey
InChIKey
PGRHXDWITVMQBC-UHFFFAOYSA-N
ChEBI ID
137426
mapping relation type
exact match
2 references
stated in
ChEBI release 2019-10-02
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3
SureChEMBL ID
SCHEMBL17787
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PGRHXDWITVMQBC-UHFFFAOYSA-N
UniChem compound ID
127008
1 reference
stated in
UniChem
NMRShiftDB structure ID
20175999
1 reference
matched by identifier from
InChIKey
InChIKey
PGRHXDWITVMQBC-UHFFFAOYSA-N
DSSTox substance ID
DTXSID6020014
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
PGRHXDWITVMQBC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID9014
0 references
NSC number
8770
0 references
139150
0 references
760135
0 references
AICS Chemical ID (BEING DELETED)
4650
0 references
Human Metabolome Database ID
HMDB0250943
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PGRHXDWITVMQBC-UHFFFAOYSA-N
Probes And Drugs ID
PD002514
0 references
IEDB Epitope ID
613424
1 reference
stated in
Immune Epitope Database and Analysis Resource
IEDB Epitope ID
613424
retrieved
1 March 2022
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