| CAS Number | 1859379-85-3 |
| Catalog Number | AG019E5G |
| Chemical Name | Propargyl-PEG2-acid |
| IUPAC Name | 3-(2-prop-2-ynoxyethoxy)propanoic acid |
| InChI | InChI=1S/C8H12O4/c1-2-4-11-6-7-12-5-3-8(9)10/h1H,3-7H2,(H,9,10) |
| InChI Key | NNWHATPXNWOQKD-UHFFFAOYSA-N |
| MDL Number | MFCD29764323 |
| Molecular Formula | C8H12O4 |
| Molecular Weight | 172.1785 |
| SMILES | C(C#C)OCCOCCC(=O)O |
| Synonyms | 3-(2-(Prop-2-yn-1-yloxy)ethoxy)propanoic acid,
1859379-85-3,
Propargyl-PEG2-acid,
Propyne-PEG1-CH2CH2COOH,
SCHEMBL12092183,
BP-23165,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.18g/mol |
| Monoisotopic Mass | 172.074g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
Lot Number