3-Hydroxy-6-oxo-1-cyclohexene-1-acetic acid; (S)-form, Me ether, nitrile
AlkaPlorer ID: AK301708
Synonym: 3-Methoxy-6-oxo-1-cyclohexene-1-acetonitrile, 2-(Cyanomethyl)-4-methoxy-2-cyclohexen-1-one, Ehretine
IUPAC Name: 2-(3-methoxy-6-oxocyclohexen-1-yl)acetonitrile
Structure
SMILES: COC1C=C(CC#N)C(=O)CC1
InChI: InChI=1S/C9H11NO2/c1-12-8-2-3-9(11)7(6-8)4-5-10/h6,8H,2-4H2,1H3
InChIKey: WJWHYIKCMZCOKH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ehretia longiflora | Ehretia | Ehretiaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 165.19199999999998
TPSA？: 50.09
MolLogP？: 1.20438
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|