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Pd-Ib

CAT: 0013-GTR19231716-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231716-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pd-Ib (CAS 78416-90-7) is a natural product suitable for use as an analytical reference standard. It is utilized in biochemical research for in vitro studies investigating natural product chemistry and biological activity.
CAS Number
78416-90-7
Smiles
C\C=C (\C) C (=O) OC1C (=O) c2c (OC1 (C) C) ccc1ccc (=O) oc21
Molecular Formula
C19H18O6
Molecular Weight
342.347
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(8,8-dimethyl-2,10-dioxo-9H-pyrano[2,3-f]chromen-9-yl) (Z)-2-methylbut-2-enoate
CAS Number78416-90-7
PubChem CID51136479
IUPAC Name(8,8-dimethyl-2,10-dioxo-9H-pyrano[2,3-f]chromen-9-yl) (Z)-2-methylbut-2-enoate
Molecular FormulaC19H18O6
Molecular Weight342.3
XLogP3.2
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity659
SMILES
C/C=C(/C)\C(=O)OC1C(=O)C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C
InChI
InChI=1S/C19H18O6/c1-5-10(2)18(22)24-17-15(21)14-12(25-19(17,3)4)8-6-11-7-9-13(20)23-16(11)14/h5-9,17H,1-4H3/b10-5-
InChIKey
PGOMXBOHQUBUMI-YHYXMXQVSA-N
Chemical Structure
2D Structure
2D structure of (8,8-dimethyl-2,10-dioxo-9H-pyrano[2,3-f]chromen-9-yl) (Z)-2-methylbut-2-enoate
CAS: 78416-90-7
CID: 51136479
Formula: C19H18O6
MW: 342.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.3
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass342.11033829
Monoisotopic Mass342.11033829
Topological Polar Surface Area78.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity659
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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