PPY
Summary
Name: | 3-PHENYLPYRUVIC ACID |
Formula: | C9 H8 O3 |
Formal charge: | 0 |
Formula weight: | 164.158 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 2-oxo-3-phenylpropanoic acid |
OpenEye OEToolkits | 1.5.0 | 2-oxo-3-phenyl-propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(C(=O)O)Cc1ccccc1 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(=O)Cc1ccccc1 |
SMILES | CACTVS | 3.341 | OC(=O)C(=O)Cc1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(=O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(=O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12) |
InChIKey | InChI | 1.03 | BTNMPGBKDVTSJY-UHFFFAOYSA-N |