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4-n-Octyl-d17-phenol

CAT: 0572-TRC-O293776-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O293776-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1219794-55-4
Synonyms
4-Octylphenol D17 (octyl D17)
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN2430; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])c1ccc(O)cc1
Molecular Formula
C14 D17 H5 O
Molecular Weight
223.43
InChI
InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2
Additionnal Information
IUPAC name: 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecadeuteriooctyl)phenol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-N-Octyl-D17-phenol
CAS Number1219794-55-4
PubChem CID162343657
IUPAC Name4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecadeuteriooctyl)phenol
Molecular FormulaC14H22O
Molecular Weight223.43
XLogP5.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Heavy Atom Count15
Formal Charge0
Complexity136
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1=CC=C(C=C1)O
InChI
InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2
InChIKey
NTDQQZYCCIDJRK-OISRNESJSA-N
Chemical Structure
2D Structure
2D structure of 4-N-Octyl-D17-phenol
CAS: 1219794-55-4
CID: 162343657
Formula: C14H22O
MW: 223.43
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.43
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Exact Mass223.273770002
Monoisotopic Mass223.273770002
Topological Polar Surface Area20.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity136
Isotope Atom Count17
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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Alternative Products

CatalogName
HY-151186S-014-n-Octyl-anisole-d17
sc-478698N-Octyl Nortadalafil-d17
AR-P31113-014-tret-Octyl-Phenol
421903-01(2R) -Octyl-α-hydroxyglutarate-d17
422217-01(2S) -Octyl-α-hydroxyglutarate-d17
162814Benzyl Octyl Adipate-d17
O5475-01Octhilinone-d17 (2-Octyl-4-isothiazolin-3-one-d17, 2-Octyl-3 (2H) -isothiazolone-d17, Pancil-D17, RH 893-d17, SD 888-d17, Skane 8-d17, Kathon-d17)
MBS6114633-01Octhilinone-d17 (2-Octyl-4-isothiazolin-3-one-d17, 2-Octyl-3(2H)-isothiazolone-d17, Pancil-D17, RH 893-d17, SD 888-d17, Skane 8-d17, Kathon-d17)
HY-116285S1-011-O-n-Octyl-β-D-glucopyranoside-d17
D3711-01N, N’-Di- (n-octyl-d17) -3,3’-dithiodipropionamide

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