J00
Summary
| Name: | 2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid |
| Synonyms: | (S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid |
| Formula: | C10 H9 B O4 |
| Formal charge: | 0 |
| Formula weight: | 203.987 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(3~{S})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H9BO4/c1-6(10(12)13)9-7-4-2-3-5-8(7)11(14)15-9/h2-5,9,14H,1H2,(H,12,13)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | BRBGRVSFRVLGNY-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB1O[C@H](C(=C)C(O)=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | OB1O[CH](C(=C)C(O)=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1(c2ccccc2[C@H](O1)C(=C)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1(c2ccccc2C(O1)C(=C)C(=O)O)O |
