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(Q76144130)
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English
(E)-3-(3-fluorophenyl)prop-2-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
166.043007684
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₉H₇FO₂
0 references
canonical SMILES
O=C(O)/C=C/c1cccc(F)c1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C1=CC(=CC(=C1)F)/C=C/C(=O)O
0 references
melting point
167.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
Identifiers
InChI
InChI=1S/C9H7FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+
0 references
InChIKey
RTSIUKMGSDOSTI-SNAWJCMRSA-N
0 references
CAS Registry Number
20595-30-6
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
1551219
0 references
SureChEMBL ID
SCHEMBL79650
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RTSIUKMGSDOSTI-SNAWJCMRSA-N
SCHEMBL79651
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RTSIUKMGSDOSTI-SNAWJCMRSA-N
UniChem compound ID
22924799
1 reference
stated in
UniChem
NMRShiftDB structure ID
20208595
1 reference
matched by identifier from
InChIKey
InChIKey
RTSIUKMGSDOSTI-SNAWJCMRSA-N
DSSTox substance ID
DTXSID001276012
1 reference
matched by identifier from
InChIKey
InChIKey
RTSIUKMGSDOSTI-SNAWJCMRSA-N
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