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(Q63409079)
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English
1-phenanthren-3-ylethanone
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
Phenanthrenes (and derivatives)
1 reference
based on heuristic
inferred from SMILES
mass
220.088815004
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₂O
0 references
canonical SMILES
CC(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1
0 references
Identifiers
InChI
InChI=1S/C16H12O/c1-11(17)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-10H,1H3
0 references
InChIKey
JKVNPRNAHRHQDD-UHFFFAOYSA-N
0 references
CAS Registry Number
2039-76-1
1 reference
InChIKey
JKVNPRNAHRHQDD-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=2039-76-1
PubChem CID
74867
1 reference
matched by identifier from
InChIKey
InChIKey
JKVNPRNAHRHQDD-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL50671
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JKVNPRNAHRHQDD-UHFFFAOYSA-N
UniChem compound ID
10318801
1 reference
stated in
UniChem
MassBank accession ID
SM810601
0 references
NMRShiftDB structure ID
20200582
1 reference
matched by identifier from
InChIKey
InChIKey
JKVNPRNAHRHQDD-UHFFFAOYSA-N
DSSTox substance ID
DTXSID9049243
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
JKVNPRNAHRHQDD-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID1029099
0 references
NSC number
3192
0 references
UNII
3432AC5C2H
1 reference
matched by identifier from
InChIKey
InChIKey
JKVNPRNAHRHQDD-UHFFFAOYSA-N
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