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Compound
Methyl 3-[4-(cyclopropanecarbonyl)phenyl]prop-2-enoate
HCID
1474744
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Basic information
Names & identifiers
Properties
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Basic information
Standard SMILES
COC(=O)C=Cc1ccc(C(=O)C2CC2)cc1
InChIKey
SRONYUUWYHVFHY-UHFFFAOYSA-N
Molecular formula
C14H14O3
Average molar mass
230.26 g/mol
Monoisotopic mass
230.0942943
Names & identifiers
Preferred name
Methyl 3-[4-(cyclopropanecarbonyl)phenyl]prop-2-enoate
IUPAC
methyl 3-[4-(cyclopropanecarbonyl)phenyl]prop-2-enoate
Names & synonyms
SCHEMBL5217494
Database identifiers
PubChem CID
1474744
Properties
Computed structural properties
XLogP
2.3
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
17
Formal charge
0
Complexity
320
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
106571
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
1546147
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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