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Methyl 3-[4-(cyclopropanecarbonyl)phenyl]prop-2-enoate

HCID 1474744
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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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

Related reactions

2 records
New reaction record
HRID 106571 reaction equation
HRID 106571As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1546147 reaction equation
HRID 1546147As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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