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Anigorufone

CAT: 0013-GTR19188337-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188337-01Size:1 mg
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Description
Anigorufone
CAS Number
56252-32-5
Product Name Alternative
Anigorufone, Antifection, 2-hydroxy-9-phenyl-1H-phenalen-1-one
Purity
99.22% (May vary between batches)
Smiles
O=C1C (O) =CC=2C=CC=C3C=CC (C=4C=CC=CC4) =C1C32
Molecular Formula
C19H12O2
Molecular Weight
272.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Anigorufone

Anigorufone is a member of benzenes, a member of naphthalenes and a ring assembly.

CAS Number56252-32-5
PubChem CID636472
IUPAC Name2-hydroxy-9-phenylphenalen-1-one
Molecular FormulaC19H12O2
Molecular Weight272.3
XLogP4.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity446
SMILES
C1=CC=C(C=C1)C2=C3C4=C(C=CC=C4C=C(C3=O)O)C=C2
InChI
InChI=1S/C19H12O2/c20-16-11-14-8-4-7-13-9-10-15(12-5-2-1-3-6-12)18(17(13)14)19(16)21/h1-11,20H
InChIKey
ACJJXELQAJQSLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anigorufone
CAS: 56252-32-5
CID: 636472
Formula: C19H12O2
MW: 272.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.3
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass272.083729621
Monoisotopic Mass272.083729621
Topological Polar Surface Area37.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity446
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

Alternative Products

CatalogName
M35295-01Anigorufone

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