5-(2-Methyl-3-oxo-butan-2-yl)-2-methoxybenzaldehyde

HCID 19066469
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Basic information

Standard SMILES
COc1ccc(C(C)(C)C(C)=O)cc1C=O
InChIKey
VBVKMAOMRGJHGE-UHFFFAOYSA-N
Molecular formula
C13H16O3
Average molar mass
220.26 g/mol

Names & identifiers

Preferred name
5-(2-Methyl-3-oxo-butan-2-yl)-2-methoxybenzaldehyde
IUPAC
2-methoxy-5-(2-methyl-3-oxobutan-2-yl)benzaldehyde

Names & synonyms

SCHEMBL7583554VBVKMAOMRGJHGE-UHFFFAOYSA-N5-(2-Methyl-3-oxo-butan-2-yl)-2-methoxybenzaldehyde

Database identifiers

PubChem CID
19066469

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
16

Related reactions

2 records
New reaction record

Compound notes

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