Compound Selection

Formula: C6H6O3

MW: 126.11

CAS: 37112-31-5

TNP NUMBER: TNP00415

MDL NUMBER: MFCD00191664

IUPAC: 7,8-dioxabicyclo[3.2.1]oct-3-en-2-one

Smiles: C1OC2OC1C=CC2=O

Oil

Product of pyrolysis of cellulose.

ACCEPTORS: 3

DONORS: 0

ROTATION BONDS: 0

N+O: 3

Chiral Centers: 2

LogP: -1.2

LogS: -2.12

LIPINSKI: 4

Synonyms: (1s)-8-dioxabicyclo(3.2.1)oct-2-en-4-one;1,6-ANHYDRO-3,4-DIDEOXY-ALPHA-D-GLYCERO-HEX-3-ENOPYRANOSE-2-ULOSE;6,8-DIOXA-BICYCLO[3.2.1]OCT-2-EN-4-ONE;LEVOGLUCOSENONE;1,6-Anhydro-3,4-dideoxy-a-D-glycero-hex-3-enopyranose-2-ulose;6,8-Dioxabicyclo3.2.1oct-2-en-4-one, (1S,5R)-;1,6-Anhydro-3,4-dideoxy-a-D-glycero-hex-3-enopyranose-2-ulose;(1S,5R)-6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one

CAS:37112-31-5

MF:C6H6O3

MW:126.11

EINECS:

Product Categories:Chiral Reagents;Heterocycles LEVOGLUCOSENONE LEVOGLUCOSENONE

Usage And Synthesis:

Chemical Properties: Colourless to Yellow Oil Usage(-)-Form is a pyrolysis product of cellulose and cellulose-containing materials including pulp and paper waste products. Known as a pyrolytic product of cellulose, its very useful as a chiral source for synthesizing natural products because of its LEVOGLUCOSENONE

Chemical Compounds - BioActive Compounds

Structure Search Shop Online Download Databases Request a CD
Structure Search eChemStore Download Request CD

Site Search

Compound Search

share

FacebookTwitterLinkedin

Contact Us

Toll Free 800-574-7391
Phone: 302-292-8500
Fax: 302-292-8520

Chem-TCM is the digital database of molecules from plants used in the traditional Chinese medicine
MyriaScreen II – diversity screening library from Sigma-Aldrich and TimTec
ApexScreen is a collection of 5,040 compounds that were selected to represent the diversity of TimTec stock
Chemistry reagents, HPLC columns, natural compounds
innovative software packages for chemical database management, chemical web server, structure drawing, diversity analysis, clustering, HTS and combinatorial chemistry, prediction of LogP/solubility/Pk, and Spectra Management