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Nonanal-d18

CAT: 0572-TRC-N649332-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N649332-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1466552-36-2
Synonyms
Nonanaldehyde-d18; Aldehyde C 09-d18; Aldehyde C 9-d18; NSC 5518-d18; Nonaldehyde-d18; Nonanoic Aldehyde-d18; Nonylaldehyde-d18; Nonylic Aldehyde-d18; Pelargonaldehyde-d18; Pelargonic Aldehyde-d18; n-Nonanal-d18; n-Nonylaldehyde-d18
Hazard Statement
Combustible liquid and vapour.
Purity
>95% (GC)
Smiles
[2H]C(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Molecular Formula
C9 D18 O
Molecular Weight
160.35
InChI
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D
Additionnal Information
IUPAC name: 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecadeuteriononan-1-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Nonanal-d18
CAS Number1466552-36-2
PubChem CID72735673
IUPAC Name1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecadeuteriononan-1-one
Molecular FormulaC9H18O
Molecular Weight160.35
XLogP3.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Heavy Atom Count10
Formal Charge0
Complexity69
SMILES
[2H]C(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
InChI
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D
InChIKey
GYHFUZHODSMOHU-PBYHGZINSA-N
Chemical Structure
2D Structure
2D structure of Nonanal-d18
CAS: 1466552-36-2
CID: 72735673
Formula: C9H18O
MW: 160.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.35
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Exact Mass160.248746620
Monoisotopic Mass160.248746620
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity69.1
Isotope Atom Count18
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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