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Clearanol C

CAT: 0013-GTR19228008-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228008-02Size:2 mg
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Description
Clearanol C (CAS 1384260-56-3) is a research chemical employed in life science studies. It serves as a useful tool compound for biochemical research, applicable in both in vitro enzymatic assays and in vivo model investigations related to metabolic pathways.
CAS Number
1384260-56-3
Smiles
COc1cc (O) c2C (=O) OC (=C) [C@@H] (C) c2c1C
Molecular Formula
C13H14O4
Molecular Weight
234.251
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Clearanol C

Clearanol C is a 2-benzopyran.

CAS Number1384260-56-3
PubChem CID101540450
IUPAC Name(4S)-8-hydroxy-6-methoxy-4,5-dimethyl-3-methylidene-4H-isochromen-1-one
Molecular FormulaC13H14O4
Molecular Weight234.25
XLogP3.1
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity338
SMILES
C[C@@H]1C(=C)OC(=O)C2=C1C(=C(C=C2O)OC)C
InChI
InChI=1S/C13H14O4/c1-6-8(3)17-13(15)12-9(14)5-10(16-4)7(2)11(6)12/h5-6,14H,3H2,1-2,4H3/t6-/m1/s1
InChIKey
CIGSWLXZMSXAAE-ZCFIWIBFSA-N
Chemical Structure
2D Structure
2D structure of Clearanol C
CAS: 1384260-56-3
CID: 101540450
Formula: C13H14O4
MW: 234.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.25
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass234.08920892
Monoisotopic Mass234.08920892
Topological Polar Surface Area55.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5791415Clearanol C

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