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Flavanone-d5

CAT: 0572-TRC-F371102-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F371102-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
146196-91-0
Synonyms
2,3-Dihydro-2-(phenyl-d5)-4H-1-benzopyran-4-one; (+/-)-Flavanone-d5; 2-(Phenyl-d5)-3,4-dihydro-2H-benzopyran-4-one; 2-(Phenyl-d5)-3,4-dihydro-benzopyran-4-one; 2-(Phenyl-d5)-4-chromanone; 4-Flavanone-d5; NSC 50393-d5; dl-Flavanone-d5;
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c([2H])c(C2CC(=O)c3ccccc3O2)c([2H])c1[2H]
Molecular Formula
C15H7D5O2
Molecular Weight
229.29
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Flavanone-d5
CAS Number146196-91-0
PubChem CID121487929
IUPAC Name2-(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydrochromen-4-one
Molecular FormulaC15H12O2
Molecular Weight229.28
XLogP3.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity281
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C2CC(=O)C3=CC=CC=C3O2)[2H])[2H]
InChI
InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2/i1D,2D,3D,6D,7D
InChIKey
ZONYXWQDUYMKFB-FSTBWYLISA-N
Chemical Structure
2D Structure
2D structure of Flavanone-d5
CAS: 146196-91-0
CID: 121487929
Formula: C15H12O2
MW: 229.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.28
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass229.115113351
Monoisotopic Mass229.115113351
Topological Polar Surface Area26.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity281
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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