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Azulene

CAT: 0931-T8116-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T8116-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
275-51-4
Target
HIV Protease
Related Pathways
Proteases/Proteasome, Microbiology/Virology
Purity
0.9957
Bioactivity
Azulene (Bicyclo[5.3.0]Decapentaene) is a natural product.
Smiles
c1cc2cccccc2c1
Molecular Formula
C10H8
Molecular Weight
128.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Azulene

Azulene is a mancude carbobicyclic parent consisting of a cycloheptatriene and cyclopentadiene rings. It has a role as a volatile oil component and a plant metabolite. It is an ortho-fused bicyclic arene, a member of azulenes and a mancude carbobicyclic parent.

CAS Number275-51-4
PubChem CID9231
IUPAC Nameazulene
Molecular FormulaC10H8
Molecular Weight128.17
XLogP3.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity94
SMILES
C1=CC=C2C=CC=C2C=C1
InChI
InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
InChIKey
CUFNKYGDVFVPHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azulene
CAS: 275-51-4
CID: 9231
Formula: C10H8
MW: 128.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight128.17
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass128.062600255
Monoisotopic Mass128.062600255
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity94.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes