Methyl 2-(5-(cyanomethyl)-2-methoxybenzyl)-3-oxobutanoate

HCID 68414744
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Basic information

Standard SMILES
COC(=O)C(Cc1cc(CC#N)ccc1OC)C(C)=O
InChIKey
SADWQZCLUZQQDX-UHFFFAOYSA-N
Molecular formula
C15H17NO4
Average molar mass
275.3 g/mol
Monoisotopic mass
275.11575802

Names & identifiers

Preferred name
Methyl 2-(5-(cyanomethyl)-2-methoxybenzyl)-3-oxobutanoate
IUPAC
methyl 2-[[5-(cyanomethyl)-2-methoxyphenyl]methyl]-3-oxobutanoate

Names & synonyms

Methyl 2-(5-(cyanomethyl)-2-methoxybenzyl)-3-oxobutanoate1158805-01-6SCHEMBL4208346SADWQZCLUZQQDX-UHFFFAOYSA-NDB-343224

Database identifiers

PubChem CID
68414744

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
76.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
20

Related reactions

4 records
New reaction record

Compound notes

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