791
Summary
Name: | 2-PHENYLMALONIC ACID |
Synonyms: | RU78191 |
Formula: | C9 H8 O4 |
Formal charge: | 0 |
Formula weight: | 180.157 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | phenylpropanedioic acid |
OpenEye OEToolkits | 1.5.0 | 2-phenylpropanedioic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(C(=O)O)c1ccccc1 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(C(O)=O)c1ccccc1 |
SMILES | CACTVS | 3.341 | OC(=O)C(C(O)=O)c1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(C(=O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(C(=O)O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13) |
InChIKey | InChI | 1.03 | WWYDYZMNFQIYPT-UHFFFAOYSA-N |