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CHEBI:191372 - 3-methylbenzylsuccinic acid
| Formula | C12H14O4 |
| Net Charge | 0 |
| Average Mass | 222.240 |
| Monoisotopic Mass | 222.08921 |
| SMILES | Cc1cccc(CC(CC(=O)O)C(=O)O)c1 |
| InChI | InChI=1S/C12H14O4/c1-8-3-2-4-9(5-8)6-10(12(15)16)7-11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)(H,15,16) |
| InChIKey | OHQFGTDAUDLCBG-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-methylbenzylsuccinic acid (CHEBI:191372) has functional parent succinic acid (CHEBI:15741) |
| 3-methylbenzylsuccinic acid (CHEBI:191372) is a benzenes (CHEBI:22712) |
| 3-methylbenzylsuccinic acid (CHEBI:191372) is a dicarboxylic acid (CHEBI:35692) |
| 3-methylbenzylsuccinic acid (CHEBI:191372) is conjugate acid of 3-methylbenzylsuccinate(2−) (CHEBI:191236) |
| Incoming Relation(s) |
| 3-methylbenzylsuccinate(2−) (CHEBI:191236) is conjugate base of 3-methylbenzylsuccinic acid (CHEBI:191372) |
| IUPAC Name |
|---|
| 2-(3-methylbenzyl)butanedioic acid |
| Synonyms | Source |
|---|---|
| m-methylbenzylsuccinic acid | ChemIDplus |
| 2-[(3-methylphenyl)methyl]butanedioic acid | IUPAC |
| (3-methylbenzyl)succinic acid | ChEBI |
| (3-methylbenzyl)butanedioic acid | ChEBI |
| 2-(3-methylbenzyl)succinic acid | ChEBI |
| Citations |
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