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heptanolactone
chemical compound
oxocan-2-one
2-oxocanone
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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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chemical structure
Heptanolactone.svg
70 × 100; 8 KB
0 references
mass
128.083729624
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₇H₁₂O₂
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canonical SMILES
C1CCCOC(=O)CC1
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Identifiers
InChI
InChI=1S/C7H12O2/c8-7-5-3-1-2-4-6-9-7/h1-6H2
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InChIKey
BTLSLHNLDQCWKS-UHFFFAOYSA-N
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CAS Registry Number
539-87-7
1 reference
InChIKey
BTLSLHNLDQCWKS-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=539-87-7
ChemSpider ID
120125
0 references
PubChem CID
136352
1 reference
matched by identifier from
InChIKey
InChIKey
BTLSLHNLDQCWKS-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL541377
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BTLSLHNLDQCWKS-UHFFFAOYSA-N
UniChem compound ID
25833616
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30202171
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
BTLSLHNLDQCWKS-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30124662
0 references
Google Knowledge Graph ID
/g/12vzpp0xk
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Sitelinks
Wikipedia
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Heptanolacton
ptwiki
Heptanolactona
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