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Dihydro capsaicin-d3

CAT: 0024-sc-498887Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-498887Size:1 mg
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CAS Number
1330261-21-6

Chemical Information

Dihydro Capsaicin-d3
CAS Number1330261-21-6
PubChem CID71316141
IUPAC NameN-[[4-hydroxy-3-(trideuteriomethoxy)phenyl]methyl]-8-methylnonanamide
Molecular FormulaC18H29NO3
Molecular Weight310.4
XLogP4.4
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count22
Formal Charge0
Complexity307
SMILES
[2H]C([2H])([2H])OC1=C(C=CC(=C1)CNC(=O)CCCCCCC(C)C)O
InChI
InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)/i3D3
InChIKey
XJQPQKLURWNAAH-HPRDVNIFSA-N
Chemical Structure
2D Structure
2D structure of Dihydro Capsaicin-d3
CAS: 1330261-21-6
CID: 71316141
Formula: C18H29NO3
MW: 310.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight310.4
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass310.23357402
Monoisotopic Mass310.23357402
Topological Polar Surface Area58.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity307
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes