Levoglucosenone

Levoglucosenone
Compound Structure:
Synonyms: (1S,5R)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one; Levoglucosenone; 1,6-anhydro-3,4-dideoxy-beta-D-glycero-hex-3-enopyranos-2-ulose; 1,6-Anhydro-3,4-dideoxyhex-3-enopyran-2-ulose; (1S)-6,8-Dioxabicyclo(3.2.1)oct-2-en-4-one; 6,8-Dioxabicyclo(3.2.1)oct-2-en-4-o
Compound ID: NMPC-1197
PubChem ID:

699486
Molecular Formula: C6H6O3
Canonical SMILES: C1C2C=CC(=O)C(O1)O2
InChIKey: HITOXZPZGPXYHY-UJURSFKZSA-N
About the compound:

Levoglucosenone is an organic compound with the formula [OCH2(CH)4CO2]. A pale yellow liquid, it is an unsaturated bicyclic ketone-diether formed from levoglucosan by loss of two molecules of water. As a product of the acid-catalysed pyrolysis of cellulose, D-glucose, and levoglucosan, this liquid hydrocarbon is of interest as a biofuel and biofeedstock.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

126.11 g/mol

XLogP3-AA

-0.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

0

Exact Mass

126.031694049 g/mol

Monoisotopic Mass

126.031694049 g/mol

Topological Polar Surface Area

35.5Ų

Heavy Atom Count

9

Formal Charge

0

Complexity

173

Isotope Atom Count

0

Defined Atom Stereocenter Count

2

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem            
Source Species: Tamarindus indica
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