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Clearanol C

CAT: 0931-T125956-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T125956-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1384260-56-3
Target
Others
Related Pathways
Others
Bioactivity
Clearanol C is a useful organic compound for research related to life sciences. The catalog number is T125956 and the CAS number is 1384260-56-3.
Smiles
COc1cc(O)c2C(=O)OC(=C)[C@@H](C)c2c1C
Molecular Formula
C13H14O4
Molecular Weight
234.251
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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Alternative Products

CatalogName
GTR19228008-01Clearanol C

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