Methyl 3-ethylbenzoate

HCID 12430992

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCc1cccc(C(=O)OC)c1
InChIKey: YMVGYYSDIIIVKV-UHFFFAOYSA-N
Molecular formula: C10H12O2
Average molar mass: 164.2 g/mol

Names & identifiers

Preferred name: Methyl 3-ethylbenzoate
IUPAC: methyl 3-ethylbenzoate

Names & synonyms

methyl 3-ethylbenzoate50604-00-7Benzoic acid, 3-ethyl-, methyl esterMFCD04037896methyl3-ethylbenzoateSCHEMBL126283SCHEMBL126284SCHEMBL7495051SCHEMBL16618968SCHEMBL16959017YMVGYYSDIIIVKV-UHFFFAOYSA-NAKOS006292644

Show more names

DA-32691CS-0196028E89719F633155

Database identifiers

PubChem CID: 12430992

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 154

Related reactions

6 records

New reaction record

HRID 4974As productuspto-grants-1993_09

HRID 1120015As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1137940As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1150650As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2045837As productuspto-grants-2013_11

HRID 2045838As reactantuspto-grants-2013_11

Compound notes

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