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3-Methoxy-cinnamic acid ethyl ester

HCID 367201
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOC(=O)C=Cc1cccc(OC)c1
InChIKey
UPOMPRQKAGEXPN-UHFFFAOYSA-N
Molecular formula
C12H14O3
Average molar mass
206.24 g/mol
Monoisotopic mass
206.0942943

Names & identifiers

Preferred name
3-Methoxy-cinnamic acid ethyl ester
IUPAC
ethyl 3-(3-methoxyphenyl)prop-2-enoate

Names & synonyms

SCHEMBL1210331UPOMPRQKAGEXPN-UHFFFAOYSA-N3-methoxy-cinnamic acid ethyl esterAKOS017265391

Database identifiers

PubChem CID
367201

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
15
Formal charge
0
Complexity
223

Related reactions

3 records
New reaction record
HRID 183463 reaction equation
HRID 183463As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 186948 reaction equation
HRID 186948As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 2240853 reaction equation
HRID 2240853As reactantuspto-grants-2010_05

Compound notes

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