3-Methoxypropyl acetate
PubChem CID: 536841
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| Compound Synonyms | 3-Methoxypropyl acetate, 41448-83-3, methoxypropylacetate, 3-methoxypropylacetate, SCHEMBL16025, Methyl propylene glycol acetate, AKOS033058412, EN300-383826, G55638, Z1123440688 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 80.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methoxypropyl acetate |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C6H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CCTFMNIEFHGTDU-UHFFFAOYSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -3.057 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.551 |
| Compound Name | 3-Methoxypropyl acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 132.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 132.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5372858 |
| Inchi | InChI=1S/C6H12O3/c1-6(7)9-5-3-4-8-2/h3-5H2,1-2H3 |
| Smiles | CC(=O)OCCCOC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients