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4-Methylumbelliferone-13C4

CAT: 1459-CS-T-81136Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-81136Size:1 Each
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Description
4-Methylumbelliferone-13C4 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Methylumbelliferone. The product is supplied by Clearsynth under CAT No. CS-T-81136. 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
1569304-40-0
Synonyms
4-Methylumbelliferone-13C4
Molecular Formula
C 613 C 4 H 8 O 3
Molecular Weight
180.14
Additionnal Information
4-Methylumbelliferone-13C4 is supplied with detailed characterization data compliant with regulatory guideline. 4-Methylumbelliferone-13C4 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 Methylumbelliferone.
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

4-Methylumbelliferone-13C4
CAS Number1569304-40-0
PubChem CID73211824
IUPAC Name7-hydroxy-4-(113C)methylchromen-2-one
Molecular FormulaC10H8O3
Molecular Weight180.14
XLogP1.9
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity257
SMILES
[13CH3][13C]1=[13CH][13C](=O)OC2=C1C=CC(=C2)O
InChI
InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3/i1+1,4+1,6+1,10+1
InChIKey
HSHNITRMYYLLCV-IPRLLLDQSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylumbelliferone-13C4
CAS: 1569304-40-0
CID: 73211824
Formula: C10H8O3
MW: 180.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.14
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass180.06076345
Monoisotopic Mass180.06076345
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity257
Isotope Atom Count4
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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