COc1cc(C=O)ccc1-n1cnc(C)c1
CAS: 870837-18-6
Name: 3-methoxy-4-(4-methylimidazol-1-yl)benzaldehyde
SMILES: COc1cc(C=O)ccc1-n1cnc(C)c1

Molecular Processing

Molecular formula
C12H12N2O2
Molecular weight
216.24
Exact mass
216.0899
XLogP
2
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
60.24

Supplementary Information

InChIKey: ZPKLQDKQGVSJST-UHFFFAOYSA-N
Synonyme
3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde870837-18-63-methoxy-4-(4-methylimidazol-1-yl)benzaldehyde3-Methoxy-4-(4-methyl-imidazol-1-yl)-benzaldehydeMFCD09991722SCHEMBL758550orb3144093SCHEMBL29940580DTXSID70650733ZPKLQDKQGVSJST-UHFFFAOYSA-NCS-B0534TYD-03432AKOS015851778DS-2157AC-24382SY105513DB-0319333-methoxy-4-(4-methyl-1-imidazolyl)benzaldehyde3-Methoxy-4-(4-methyl-imidazol-1-yl)benzaldehydeF2188813-methoxy-4-(4-methyl-1H-imidazol-1-yl)-benzaldehyde
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