1-(3,4-Dimethoxyphenyl)butane-1,3-dione

HCID 368060
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Basic information

Standard SMILES
COc1ccc(C(=O)CC(C)=O)cc1OC
InChIKey
WIPDJSMZXOYFOO-UHFFFAOYSA-N
Molecular formula
C12H14O4
Average molar mass
222.24 g/mol

Names & identifiers

Preferred name
1-(3,4-Dimethoxyphenyl)butane-1,3-dione
IUPAC
1-(3,4-dimethoxyphenyl)butane-1,3-dione

Names & synonyms

1-(3,4-dimethoxyphenyl)butane-1,3-dione13298-49-2MFCD111851001-(3,4-dimethoxyphenyl)-1,3-butanedioneSCHEMBL1322947WIPDJSMZXOYFOO-UHFFFAOYSA-NSTL283805AKOS009234340NS-02712CS-0318595

Database identifiers

PubChem CID
368060
Nikkaji
J1.791.503G

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
16

Related reactions

7 records
New reaction record

Compound notes

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