Butyric anhydride
PubChem CID: 7798
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| Compound Synonyms | BUTYRIC ANHYDRIDE, 106-31-0, Butanoic anhydride, n-Butyric anhydride, Butanoic acid, anhydride, butanoyl butanoate, Butyric acid anhydride, Butyryl oxide, n-Butyric acid anhydride, Butyranhydrid, Butyric anhydride N, Butyranhydrid [Czech], Caswell No. 132A, Anhydrid kyseliny maselne, n-Butanoic anhydride, Butanoic acid, 1,1'-anhydride, HSDB 5369, Anhydrid kyseliny maselne [Czech], EINECS 203-383-4, UNII-A88LE742VX, MFCD00009389, UN2739, EPA Pesticide Chemical Code 077705, BRN 1099474, A88LE742VX, DTXSID8026729, BUTYRIC ANHYDRIDE [MI], DTXCID206729, BUTYRIC ANHYDRIDE [HSDB], EC 203-383-4, 4-02-00-00802 (Beilstein Handbook Reference), UN 2739, Butyric anhydride, 98%, Butanoic acid anhydride, Ethyl butyryl acetate, nButyric anhydride, nButyric acid anhydride, BUTANOYL ANHYDRIDE, Butyric anhydride, 99%, SCHEMBL8158, butanoic acid 1-oxobutyl ester, CHEMBL1566369, Tox21_201086, STL194304, AKOS000269029, NCGC00091001-01, NCGC00091001-02, NCGC00091001-03, NCGC00258638-01, CAS-106-31-0, LS-13480, Butyric anhydride [UN2739] [Corrosive], B0766, Butyric anhydride, purum, >=97.0% (NT), NS00006505, A801416, Q5003196, F0001-0116, 203-383-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCC=O)OC=O)CCC |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Description | Flavouring compound [Superscent] |
| Classyfire Subclass | Dicarboxylic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 124.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | butanoyl butanoate |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 1.6 |
| Superclass | Organic acids and derivatives |
| Subclass | Dicarboxylic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H14O3 |
| Inchi Key | YHASWHZGWUONAO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | butyric anhydride |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)OC(C)=O |
| Compound Name | Butyric anhydride |
| Kingdom | Organic compounds |
| Exact Mass | 158.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 158.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 158.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3 |
| Smiles | CCCC(=O)OC(=O)CCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dicarboxylic acids and derivatives |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:ISBN:9780896038776