Indole-3beta-acrylic acid
PubChem CID: 5355219
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| Compound Synonyms | Indoleacrylic acid, 29953-72-8, Indole-3.beta.-acrylic acid, WLN: T56 BMJ D1U1VQ, (Z)-3-(1H-indol-3-yl)prop-2-enoic acid, 2-beta-indoleacrylic acid, cis-Indole-3-acrylic acid, DTXSID401334856, NSC29428, NSC-29428, NSC137806, NSC612862, NSC-137806, NSC-612862 |
|---|---|
| Topological Polar Surface Area | 53.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Description | Major auxin from roots of Lens culinaris (lentil) A natural auxin from lentil roots. Inhibits the growth of mycelia of Neurospora crassa and causes the cells to accumulate indoleglycerol phosphate. 3-(1H-Indol-3-yl)-2-propenoic acid is found in lentils and pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 250.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-3-(1H-indol-3-yl)prop-2-enoic acid |
| Nih Violation | False |
| Class | Indoles and derivatives |
| Xlogp | 2.2 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | Indoles |
| Molecular Formula | C11H9NO2 |
| Inchi Key | PLVPPLCLBIEYEA-WAYWQWQTSA-N |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 1H-Indole-3-propenoic acid, 2-Propenoic acid, 3-(1-H-indol-3-yl), 2-Propenoic acid, 3-(1H-indol-3-yl)-, 3-(3-Indolyl)acrylic acid, 3-(Indol-3-yl)acrylic acid, 3-indoleacrylate, 3-indoleacrylic acid, 3-Indolylacrylic acid, Indole-3-acrylic acid, Indole-3&beta, -acrylic acid, Indole-3beta-acrylic acid, Indoleacrylate, Indoleacrylic acid |
| Substituent Name | Indole, Benzenoid, Substituted pyrrole, Heteroaromatic compound, Pyrrole, Azacycle, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Carbonyl group, Aromatic heteropolycyclic compound |
| Compound Name | Indole-3beta-acrylic acid |
| Kingdom | Organic compounds |
| Exact Mass | 187.063 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 187.063 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 187.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5- |
| Smiles | C1=CC=C2C(=C1)C(=CN2)/C=C\C(=O)O |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lens Culinaris (Plant) Rel Props:Source_db:fooddb_chem_all