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(Q81986484)
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English
1,3-Nonanediol, 1,3-diacetate
chemical compound
Nonane-1,3-diyl diacetate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
244.167459248
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₄O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCC(CCOC(C)=O)OC(C)=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H24O4/c1-4-5-6-7-8-13(17-12(3)15)9-10-16-11(2)14/h13H,4-10H2,1-3H3
0 references
InChIKey
XUVKIVFZTRZJRP-UHFFFAOYSA-N
0 references
CAS Registry Number
63270-14-4
1 reference
InChIKey
XUVKIVFZTRZJRP-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=63270-14-4
PubChem CID
112635
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
23361264
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10866997
0 references
DTXSID40276121
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DSSTOX compound identifier
DTXCID40815216
0 references
DTXCID80227470
0 references
AICS Chemical ID (BEING DELETED)
22012
0 references
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