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(Q82778817)
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English
Methyl benzo[8]annulene-6-carboxylate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
212.083729624
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)C1=C/c2ccccc2/C=C/C=C\1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
COC(=O)C1=C/c2ccccc2/C=C/C=C\1
0 references
Identifiers
InChI
InChI=1S/C14H12O2/c1-16-14(15)13-9-5-3-7-11-6-2-4-8-12(11)10-13/h2-10H,1H3/b5-3?,7-3-,9-5-,11-7?,12-10?,13-9?,13-10+
0 references
InChIKey
MJCJIDRQNSFBAR-HROFHGLMSA-N
0 references
CAS Registry Number
62934-42-3
0 references
PubChem CID
121232941
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
147696901
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10804233
0 references
DSSTOX compound identifier
DTXCID60754976
0 references
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