CCOC(=O)CC(=O)C1=CC(=C(C=C1)OC)OC
CAS: 4687-37-0
Name: ethyl 3-(3,4-dimethoxyphenyl)-3-oxopropanoate
SMILES: CCOC(=O)CC(=O)C1=CC(=C(C=C1)OC)OC

Molecular Processing

Molecular formula
C13H16O5
Molecular weight
252.27
Exact mass
252.0998
XLogP
1.84
TPSA
61.83
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
65.13

Supplementary Information

InChIKey: BHSYONGONOKNAI-UHFFFAOYSA-N
Synonyme
Ethyl 3,4-dimethoxybenzoylacetateRefChem:594562626-827-2ethyl 3-(3,4-dimethoxyphenyl)-3-oxopropanoate4687-37-0MFCD03424826Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoateethyl veratroylacetateethyl 3-(3,4-dimethoxyphenyl)-3-oxo-propanoateSCHEMBL2848397SCHEMBL31314527DTXSID20374336ethyl-3,4-dimethoxybenzoylacetate3-(3,4-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTERAKOS009258914AC-7781CS-W020068ethyl 2-(3,4-dimethoxybenzoyl)-acetateEthyl 3,4-dimethoxybenzoylacetate, 97%DS-16407SY103967DB-070763ethyl3-(3,4-dimethoxyphenyl)-3-oxopropanoateethyl 3-(3',4'-dimethoxyphenyl)-3-oxopropanoateF0148643-(3,4-Dimethoxyphenyl)-3-oxo-propionic acid ethyl ester
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