Lauric anhydride
PubChem CID: 69527
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| Compound Synonyms | Lauric anhydride, 645-66-9, Dodecanoic anhydride, dodecanoyl dodecanoate, Lauroyl anhydride, Dodecanoic acid, anhydride, lauric acid anhydride, n-dodecanoic anhydride, KHD3D6L8XQ, dodecanoyl anhydride, MFCD00008965, dodecanoic acid anhydride, EINECS 211-449-9, NSC-293871, CHEMBL420797, CHEBI:132849, DTXSID10214752, NSC 293871, DODECANOIC ACID, 1,1'-ANHYDRIDE, Dodecanoic anhydride #, UNII-KHD3D6L8XQ, SCHEMBL468394, Dodecanoic anhydride, >=98%, DTXCID40137243, BDBM50108507, NSC293871, AKOS015950639, HY-W099600, AS-56747, SY052617, DB-054691, CS-0152242, L0017, NS00035717, F20393, 211-449-9 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 307.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P49356, P53609 |
| Iupac Name | dodecanoyl dodecanoate |
| Prediction Hob | 0.0 |
| Xlogp | 10.2 |
| Molecular Formula | C24H46O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NWADXBLMWHFGGU-UHFFFAOYSA-N |
| Fcsp3 | 0.9166666666666666 |
| Logs | -6.997 |
| Rotatable Bond Count | 22.0 |
| Logd | 4.502 |
| Compound Name | Lauric anhydride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 382.345 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.345 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 382.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.198899800000001 |
| Inchi | InChI=1S/C24H46O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3 |
| Smiles | CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all