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(Q106956354)
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English
(3-acetyloxy-2-nitro-3-phenylpropyl) acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
281.2618
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₅NO₆
1 reference
PubChem CID
106664
retrieved
23 May 2021
canonical SMILES
CC(=O)OCC(C(C1=CC=CC=C1)OC(=O)C)[N+](=O)[O-]
1 reference
PubChem CID
106664
retrieved
23 May 2021
melting point
71
degree Celsius
1 reference
stated in
BradleyDoublePlusGoodMeltingPointDataset
Identifiers
InChI
InChI=1S/C13H15NO6/c1-9(15)19-8-12(14(17)18)13(20-10(2)16)11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3
1 reference
PubChem CID
106664
retrieved
23 May 2021
InChIKey
AYBALPYBYZFKDS-UHFFFAOYSA-N
1 reference
PubChem CID
106664
retrieved
23 May 2021
PubChem CID
106664
1 reference
retrieved
23 May 2021
SureChEMBL ID
SCHEMBL162064
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AYBALPYBYZFKDS-UHFFFAOYSA-N
UniChem compound ID
23274104
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90872051
1 reference
matched by identifier from
InChIKey
InChIKey
AYBALPYBYZFKDS-UHFFFAOYSA-N
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