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4-Ethylcyclohexanone
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
126.104465068
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₄O
0 references
canonical SMILES
CCC1CCC(=O)CC1
0 references
found in taxon
Zanthoxylum gilletii
1 reference
stated in
Constituents of Fagara macrophylla and Zanthoxylum rigidifolium Pericarps
Identifiers
InChI
InChI=1S/C8H14O/c1-2-7-3-5-8(9)6-4-7/h7H,2-6H2,1H3
0 references
InChIKey
OKSDJGWHKXFVME-UHFFFAOYSA-N
0 references
CAS Registry Number
5441-51-0
1 reference
InChIKey
OKSDJGWHKXFVME-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=5441-51-0
PubChem CID
79506
1 reference
matched by identifier from
InChIKey
InChIKey
OKSDJGWHKXFVME-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL87369
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OKSDJGWHKXFVME-UHFFFAOYSA-N
UniChem compound ID
6239914
1 reference
stated in
UniChem
NMRShiftDB structure ID
20209383
1 reference
matched by identifier from
InChIKey
InChIKey
OKSDJGWHKXFVME-UHFFFAOYSA-N
DSSTox substance ID
DTXSID20202807
1 reference
matched by identifier from
InChIKey
InChIKey
OKSDJGWHKXFVME-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10125298
0 references
NSC number
21120
0 references
EC number
226-629-2
0 references
ECHA Substance Infocard ID
100.024.208
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.024.208
retrieved
29 December 2019
title
4-ethylcyclohexanone
(English)
quotation
CAS no.: 5441-51-0
(English)
UNII
6ERC99KWN8
1 reference
matched by identifier from
InChIKey
InChIKey
OKSDJGWHKXFVME-UHFFFAOYSA-N
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