Ethyl 1-allylcyclopropanecarboxylate
PubChem CID: 12619317
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| Compound Synonyms | ethyl 1-allylcyclopropanecarboxylate, ethyl 1-prop-2-enylcyclopropane-1-carboxylate, CHEBI:87524, 2-propenyl-cyclopropanecarboxylic acid ethyl ester, ethyl 1-(prop-2-en-1-yl)cyclopropane-1-carboxylate, Q27159697 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 168.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 1-prop-2-enylcyclopropane-1-carboxylate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Is Pains | False |
| Molecular Formula | C9H14O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CDDXFMWEYMJTPK-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Rotatable Bond Count | 5.0 |
| Compound Name | Ethyl 1-allylcyclopropanecarboxylate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 154.099 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 154.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 154.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6441958 |
| Inchi | InChI=1S/C9H14O2/c1-3-5-9(6-7-9)8(10)11-4-2/h3H,1,4-7H2,2H3 |
| Smiles | CCOC(=O)C1(CC1)CC=C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients