COC(CN1C=CN=C1C=O)OC
CAS: 1039682-78-4
Name: 1-(2,2-dimethoxyethyl)imidazole-2-carbaldehyde
SMILES: COC(CN1C=CN=C1C=O)OC

Molecular Processing

Molecular formula
C8H12N2O3
Molecular weight
184.19
Exact mass
184.0848
XLogP
0.31
TPSA
53.35
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
13
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
0.5
Molar refractivity
45.42

Supplementary Information

InChIKey: BOODSYZKXBLUJM-UHFFFAOYSA-N
Synonyme
1-(2,2-dimethoxyethyl)-1H-imidazole-2-carbaldehyde1039682-78-41-(2,2-dimethoxyethyl)imidazole-2-carbaldehydeSCHEMBL2496018BOODSYZKXBLUJM-UHFFFAOYSA-NMFCD08668237AKOS005622718VS-10208CS-0363316
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