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Conocarpan

CAT: 0013-GTR19229026-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229026-01Size:1 mg
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Description
Conocarpan (CAS 56319-02-9) is a research chemical employed in life science studies. It serves as a useful tool compound for pharmacological research, with applications explored in both in vitro and in vivo experimental models.
CAS Number
56319-02-9
Smiles
C\C=C\c1ccc2O[C@H] ([C@H] (C) c2c1) c1ccc (O) cc1
Molecular Formula
C18H18O2
Molecular Weight
266.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Conocarpan

Conocarpan has been reported in Anogeissus acuminata, Terminalia phillyreifolia, and other organisms with data available.

CAS Number56319-02-9
PubChem CID10999992
IUPAC Name4-[(2R,3R)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
Molecular FormulaC18H18O2
Molecular Weight266.3
XLogP4.4
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity343
SMILES
C/C=C/C1=CC2=C(C=C1)O[C@H]([C@@H]2C)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H18O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-12,18-19H,1-2H3/b4-3+/t12-,18-/m1/s1
InChIKey
GXJSAHXNLJFDPO-CGBXWHSCSA-N
Chemical Structure
2D Structure
2D structure of Conocarpan
CAS: 56319-02-9
CID: 10999992
Formula: C18H18O2
MW: 266.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.3
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass266.130679813
Monoisotopic Mass266.130679813
Topological Polar Surface Area29.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity343
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
379890Conocarpan
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