Lactonitrile
PubChem CID: 6572
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| Compound Synonyms | Lactonitrile, 2-HYDROXYPROPANENITRILE, 2-Hydroxypropionitrile, 78-97-7, Propanenitrile, 2-hydroxy-, Acetocyanohydrin, DL-Lactonitrile, Propionitrile, 2-hydroxy-, Laktonitril, Acetaldehyde, cyanohydrin, Acetaldehyde cyanohydrin, Laktonitril [Czech], 2-Hydroxypropannitril, Ethylidene cyanohydrin, 42492-95-5, NSC 7764, (1)-2-Hydroxypropiononitrile, 2-Hydroxypropannitril [Czech], CCRIS 6048, HSDB 5225, .alpha.-Hydroxypropionitrile, EINECS 201-163-2, EINECS 255-852-8, UNII-SJ38QDA188, BRN 0605366, DTXSID6025432, AI3-24276, NSC-7764, DTXCID005432, SJ38QDA188, EC 201-163-2, 3-03-00-00451 (Beilstein Handbook Reference), 2-HYDROXYPROPANENITRILE [HSDB], 2-HYDROXYPROPIONITRILE, (+/-)-, 2-HYDROXYPROPANENITRILE, (+/-)-, (S)-lactonitrile, alpha-Hydroxypropionitrile, acetocyanhydrin, acetocyanhydrine, D-Lactonitrile, (RS)-lactonitrile, 2Hydroxypropannitril, 2hydroxypropionitrile, MFCD00004507, 2hydroxypropanenitrile, (+/-)-lactonitrile, 2-hydroxy-propionitrile, alphaHydroxypropionitrile, Propionitrile, 2hydroxy, 2-hydroxy-propanenitrile, Propanenitrile, 2hydroxy, ETHYLIDENECYANOHYDRIN, WLN: QY1&CN, CHEMBL3559764, NSC7764, PROPANENITRILE, 2-HYROXY-, ALBB-027949, Tox21_303777, (+-)-2-HYDROXYPROPIONITRILE, DL-Lactonitrile, >=97.0% (T), (+-)-2-HYDROXYPROPANENITRILE, AKOS009159265, (.+-.)-2-HYDROXYPROPIONITRILE, 2-HYDROXYPROPANOIC ACID, NITRILE, CAS-78-97-7, (.+-.)-2-HYDROXYPROPANENITRILE, NCGC00357069-01, FH135171, LS-09700, NS00006942, PROPANOIC ACID, 2-HYDROXY-, NITRILE, EN300-115340, Q6469032, 201-163-2, 255-852-8 |
|---|---|
| Topological Polar Surface Area | 44.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 60.5 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P05412 |
| Iupac Name | 2-hydroxypropanenitrile |
| Prediction Hob | 1.0 |
| Xlogp | -0.3 |
| Molecular Formula | C3H5NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | WOFDVDFSGLBFAC-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | 0.891 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.61 |
| Compound Name | Lactonitrile |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 71.0371 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 71.0371 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 71.08 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.3115102 |
| Inchi | InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3 |
| Smiles | CC(C#N)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all