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Alnustone

CAT: 0572-TRC-A575300-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A575300-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
33457-62-4
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
O=C(CCc1ccccc1)\C=C\C=C\c2ccccc2
Molecular Formula
C19 H18 O
Molecular Weight
262.346
InChI
InChI=1S/C19H18O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14H,15-16H2/b13-7+,14-8+
Additionnal Information
IUPAC name: (4E,6E)-1,7-diphenylhepta-4,6-dien-3-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(4E,6E)-1,7-Diphenylhepta-4,6-Dien-3-One

Alnustone is a diarylheptanoid.

CAS Number33457-62-4
PubChem CID5317598
IUPAC Name(4E,6E)-1,7-diphenylhepta-4,6-dien-3-one
Molecular FormulaC19H18O
Molecular Weight262.3
XLogP4.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity328
SMILES
C1=CC=C(C=C1)CCC(=O)/C=C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C19H18O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14H,15-16H2/b13-7+,14-8+
InChIKey
OWMJDOUOHDOUFG-FNCQTZNRSA-N
Chemical Structure
2D Structure
2D structure of (4E,6E)-1,7-Diphenylhepta-4,6-Dien-3-One
CAS: 33457-62-4
CID: 5317598
Formula: C19H18O
MW: 262.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.3
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass262.135765193
Monoisotopic Mass262.135765193
Topological Polar Surface Area17.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity328
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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