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11-Hydroxycanthin-6-one

CAT: 0926-ADA96983-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-ADA96983-02Size:25 mg
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CAS Number
75969-83-4
MDL Number
MFCD21333395
Smiles
CC (C) C1=C (N=CO1) C (=O) OC
Molecular Formula
C14H8N2O2
Molecular Weight
236.22 g/mol
Controlled
No

Chemical Information

Amalorin

Amalorin is an alkaloid and an organic heterotetracyclic compound.

CAS Number75969-83-4
PubChem CID337601
IUPAC Name1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,12,14-hexaene-2,11-dione
Molecular FormulaC14H8N2O2
Molecular Weight236.22
XLogP0.4
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity699
SMILES
C1=CC(=O)C2=C3C=CNC4=C3N(C2=C1)C(=O)C=C4
InChI
InChI=1S/C14H8N2O2/c17-11-3-1-2-10-13(11)8-6-7-15-9-4-5-12(18)16(10)14(8)9/h1-7,15H
InChIKey
IZNXKZBIIFOWPU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amalorin
CAS: 75969-83-4
CID: 337601
Formula: C14H8N2O2
MW: 236.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.22
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass236.058577502
Monoisotopic Mass236.058577502
Topological Polar Surface Area49.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity699
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

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