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Isopropyl-d7 Paraben

CAT: 1459-CS-T-102422Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-102422Size:1 Each
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Description
Isopropyl-d7 Paraben is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Paraben. The product is supplied by Clearsynth under CAT No. CS-T-102422. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1432063-95-0
Synonyms
Isopropyl-d7 Paraben
Molecular Formula
C 10 H 5 D 7 O 3
Molecular Weight
187.24
Additionnal Information
Isopropyl-d7 Paraben is supplied with detailed characterization data compliant with regulatory guideline. Isopropyl-d7 Paraben can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Paraben.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Isopropyl-d7 Paraben
CAS Number1432063-95-0
PubChem CID71749622
IUPAC Name1,1,1,2,3,3,3-heptadeuteriopropan-2-yl 4-hydroxybenzoate
Molecular FormulaC10H12O3
Molecular Weight187.24
XLogP2.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity169
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])OC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C10H12O3/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3/i1D3,2D3,7D
InChIKey
CMHMMKSPYOOVGI-QXMYYZBZSA-N
Chemical Structure
2D Structure
2D structure of Isopropyl-d7 Paraben
CAS: 1432063-95-0
CID: 71749622
Formula: C10H12O3
MW: 187.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight187.24
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass187.122581462
Monoisotopic Mass187.122581462
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity169
Isotope Atom Count7
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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