V32

4-morpholin-4-ylcarbonylbenzaldehyde

Created: 2021-04-08
Last modified:  2024-09-27

Find related ligands:

Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count0
Bond Count30
Aromatic Bond Count6
2D diagram of V32

Chemical Component Summary

Name4-morpholin-4-ylcarbonylbenzaldehyde
Systematic Name (OpenEye OEToolkits)4-morpholin-4-ylcarbonylbenzaldehyde
FormulaC12 H13 N O3
Molecular Weight219.237
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385O=Cc1ccc(cc1)C(=O)N2CCOCC2
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1C=O)C(=O)N2CCOCC2
Canonical SMILESCACTVS3.385 O=Cc1ccc(cc1)C(=O)N2CCOCC2
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(ccc1C=O)C(=O)N2CCOCC2
InChIInChI1.03 InChI=1S/C12H13NO3/c14-9-10-1-3-11(4-2-10)12(15)13-5-7-16-8-6-13/h1-4,9H,5-8H2
InChIKeyInChI1.03 WVDVJQSVTBHGQL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 20569837