Valeric anhydride
PubChem CID: 74959
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| Compound Synonyms | Valeric anhydride, 2082-59-9, pentanoyl pentanoate, Pentanoic anhydride, n-Valeric anhydride, Pentanoic acid, anhydride, Pentanoic acid, 1,1'-anhydride, VALERICANHYDRIDE, N9B5ZQ67R5, MFCD00009477, DTXSID70870934, EINECS 218-212-9, Pentanoic Acid 1,1'-Anhydride, n-pentanoic anhydride, valeric acid anhydride, pentanoic acid anhydride, Valeric anhydride, 97%, UNII-N9B5ZQ67R5, SCHEMBL242588, DUCKXCGALKOSJF-UHFFFAOYSA-, DTXCID70818614, AKOS015918324, HY-W099747, LS-13876, DB-045398, CS-0152389, NS00046020, V0006, Valeric anhydride, purum, >=98.0% (NT), E70315, EN300-7400928, F0001-0745, InChI=1/C10H18O3/c1-3-5-7-9(11)13-10(12)8-6-4-2/h3-8H2,1-2H3, 218-212-9 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 146.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentanoyl pentanoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C10H18O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DUCKXCGALKOSJF-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.959 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.689 |
| Compound Name | Valeric anhydride |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 186.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 186.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 186.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1299561999999996 |
| Inchi | InChI=1S/C10H18O3/c1-3-5-7-9(11)13-10(12)8-6-4-2/h3-8H2,1-2H3 |
| Smiles | CCCCC(=O)OC(=O)CCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsella Bursa-Pastoris (Plant) Rel Props:Source_db:cmaup_ingredients