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Propargyl-PEG1-SS-PEG1-acid | CAS 1807503-85-0
Catalog Number | R01-0067 |
Category | Alkynes |
Molecular Formula | C10H16O4S2 |
Molecular Weight | 264.36 |
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Product Introduction
Chemical Information
Product Specification
Computed Properties
Synonyms | 3-(2-((2-(prop-2-yn-1-yloxy)ethyl)disulfanyl)ethoxy)propanoic acid |
Purity | >98.0% |
Shelf Life | 0-4°C for short term (days to weeks), or -20°C for long term (months). |
IUPAC Name | |
Canonical SMILES | C#CCOCCSSCCOCCC(=O)O |
InChI | InChI=1S/C10H16O4S2/c1-2-4-13-6-8-15-16-9-7-14-5-3-10(11)12/h1H,3-9H2,(H,11,12) |
InChIKey | OEMFYMUYWYWVRT-UHFFFAOYSA-N |
Solubility | 10 mm in DMSO |
Density | 1.2±0.1 g/cm3 |
Appearance | Solid |
Boiling Point | 428.8±45.0 °C at 760 mmHg |
Vapor Pressure | 0.0±2.2 mmHg at 25°C |
LogP | 2.15 |
Storage | Store at -20 °C, keep in dry and avoid sunlight. |
XLogP3 | 0.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 11 |
Exact Mass | 264.04900133 g/mol |
Monoisotopic Mass | 264.04900133 g/mol |
Topological Polar Surface Area | 106Ų |
Heavy Atom Count | 16 |
Formal Charge | 0 |
Complexity | 224 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
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