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English
2,2-Dimethylpentanal
chemical compound
2,2-Dimethylvaleraldehyde
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
114.104465068
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₇H₁₄O
0 references
canonical SMILES
CCCC(C)(C)C=O
0 references
Identifiers
InChI
InChI=1S/C7H14O/c1-4-5-7(2,3)6-8/h6H,4-5H2,1-3H3
0 references
InChIKey
YMXAGOUPXPGFLB-UHFFFAOYSA-N
0 references
CAS Registry Number
14250-88-5
1 reference
InChIKey
YMXAGOUPXPGFLB-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=14250-88-5
PubChem CID
84292
1 reference
matched by identifier from
InChIKey
InChIKey
YMXAGOUPXPGFLB-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL270060
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YMXAGOUPXPGFLB-UHFFFAOYSA-N
UniChem compound ID
25691715
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90162065
1 reference
matched by identifier from
InChIKey
InChIKey
YMXAGOUPXPGFLB-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID1084556
0 references
EC number
238-124-4
0 references
ECHA Substance Infocard ID
100.034.643
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.034.643
retrieved
29 December 2019
title
2,2-dimethylvaleraldehyde
(English)
quotation
CAS no.: 14250-88-5
(English)
UNII
5RZZ7FD395
1 reference
matched by identifier from
InChIKey
InChIKey
YMXAGOUPXPGFLB-UHFFFAOYSA-N
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