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(Q82159847)
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3-Acetylpyrrole
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
109.1261
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₆H₇NO
0 references
canonical SMILES
CC(=O)C1=CNC=C1
0 references
melting point
112.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
Identifiers
InChI
InChI=1S/C6H7NO/c1-5(8)6-2-3-7-4-6/h2-4,7H,1H3
0 references
InChIKey
KHHSXHXUQVNBGA-UHFFFAOYSA-N
0 references
CAS Registry Number
1072-82-8
0 references
PubChem CID
2737793
1 reference
matched by identifier from
InChIKey
InChIKey
KHHSXHXUQVNBGA-UHFFFAOYSA-N
ChEBI ID
194815
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C6H7NO/c1-5(8)6-2-3-7-4-6/h2-4,7H,1H3
UniChem compound ID
12071607
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90372248
1 reference
matched by identifier from
InChIKey
InChIKey
KHHSXHXUQVNBGA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00323281
0 references
KNApSAcK ID
C00059093
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KHHSXHXUQVNBGA-UHFFFAOYSA-N
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