Methyl 4-(cyanomethyl)-3-ethoxybenzoate

HCID 21990964
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Basic information

Standard SMILES
CCOc1cc(C(=O)OC)ccc1CC#N
InChIKey
FBZSWHCLTQJNMA-UHFFFAOYSA-N
Molecular formula
C12H13NO3
Average molar mass
219.24 g/mol

Names & identifiers

Preferred name
Methyl 4-(cyanomethyl)-3-ethoxybenzoate
IUPAC
methyl 4-(cyanomethyl)-3-ethoxybenzoate

Names & synonyms

SCHEMBL5832326FBZSWHCLTQJNMA-UHFFFAOYSA-Nmethyl 4-(cyanomethyl)-3-ethoxybenzoate

Database identifiers

PubChem CID
21990964

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
59.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
16

Related reactions

1 records
New reaction record

Compound notes

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