Levoglucosenone

CAT: 0127-BICL4128-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BICL4128-01Size:100 mg

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CAS Number

37112-31-5

Synonyms

1,6-Anhydro-3,4-dideoxy-beta-D-pyranosen-2-one

MDL Number

MFCD19237758

Purity

95%

Smiles

O=C1C=C[C@H]2CO[C@@H]1O2

Additionnal Information

Store at 0-8°C

Storage Conditions

Store at 0-8°C

Chemical Information

Levoglucosenone

Levoglucosenone is an anhydrohexose and a deoxyketohexose.

CAS Number	37112-31-5
PubChem CID	699486
IUPAC Name	(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one
Molecular Formula	C6H6O3
Molecular Weight	126.11
XLogP	-0.2
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	173

SMILES

C1[C@@H]2C=CC(=O)[C@H](O1)O2

InChI

InChI=1S/C6H6O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4,6H,3H2/t4-,6+/m0/s1

InChIKey

HITOXZPZGPXYHY-UJURSFKZSA-N

Chemical Structure

2D Structure

CAS: 37112-31-5

CID: 699486

Formula: C6H6O3

MW: 126.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.11
XLogP3	-0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	126.031694049
Monoisotopic Mass	126.031694049
Topological Polar Surface Area	35.5 Å²
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

Catalog	Name
C8184-250	Levoglucosenone