9Y3
Summary
Name: | (2Z)-3-phenylprop-2-enal |
Synonyms: | Cis-Cinnamaldehyde |
Formula: | C9 H8 O |
Formal charge: | 0 |
Formula weight: | 132.159 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2Z)-3-phenylprop-2-enal |
OpenEye OEToolkits | 2.0.6 | (~{Z})-3-phenylprop-2-enal |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cccc(c1)[C@H]=CC=O |
InChI | InChI | 1.03 | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4- |
InChIKey | InChI | 1.03 | KJPRLNWUNMBNBZ-DAXSKMNVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C\C=C/c1ccccc1 |
SMILES | CACTVS | 3.385 | O=CC=Cc1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)/C=C\C=O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C=CC=O |