I1E

1-phenylpropan-1-one

Created:2011-07-26
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count0
Bond Count20
Aromatic Bond Count6
2D diagram of I1E

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Chemical Component Summary

Name1-phenylpropan-1-one
Synonyms1-phenyl-2-propen-1-one, bound form
Systematic Name (OpenEye OEToolkits)1-phenylpropan-1-one
FormulaC9 H10 O
Molecular Weight134.175
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1ccccc1)CC
SMILESCACTVS3.370CCC(=O)c1ccccc1
SMILESOpenEye OEToolkits1.7.2CCC(=O)c1ccccc1
Canonical SMILESCACTVS3.370 CCC(=O)c1ccccc1
Canonical SMILESOpenEye OEToolkits1.7.2 CCC(=O)c1ccccc1
InChIInChI1.03 InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyInChI1.03 KRIOVPPHQSLHCZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 7148
ChEMBL CHEMBL193446
ChEBI CHEBI:425902
CCDC/CSD POZPUP, TUXBUK