COC1=CC(=C(C=C1C=CC=O)OC)OC
Name: 3-(2,4,5-trimethoxyphenyl)prop-2-enal
SMILES: COC1=CC(=C(C=C1C=CC=O)OC)OC

Molecular Processing

Molecular formula
C12H14O4
Molecular weight
222.24
Exact mass
222.0892
XLogP
1.92
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
61.2

Supplementary Information

InChIKey: DNAVOCNYHNNEQI-UHFFFAOYSA-N
Synonyme
2,4,5-trimethoxy cinnamaldehyde3-(2,4,5-Trimethoxyphenyl)acrylaldehydeSCHEMBL9756143,4,6-trimethoxycinnamaldehydeSCHEMBL2119650DNAVOCNYHNNEQI-UHFFFAOYSA-NAKOS017883394
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