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(Q83080472)
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English
Benzoic acid, 3-benzoyl-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
226.06299418
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₁₀O₃
0 references
canonical SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O
0 references
melting point
164.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
Identifiers
InChI
InChI=1S/C14H10O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H,(H,16,17)
0 references
InChIKey
AXJXRLHTQQONQR-UHFFFAOYSA-N
0 references
CAS Registry Number
579-18-0
0 references
PubChem CID
101386
1 reference
matched by identifier from
InChIKey
InChIKey
AXJXRLHTQQONQR-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL141056
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AXJXRLHTQQONQR-UHFFFAOYSA-N
UniChem compound ID
23165882
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50206616
1 reference
matched by identifier from
InChIKey
InChIKey
AXJXRLHTQQONQR-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80129107
0 references
NSC number
409446
0 references
UNII
UPX6W85296
1 reference
matched by identifier from
InChIKey
InChIKey
AXJXRLHTQQONQR-UHFFFAOYSA-N
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