| CAS Number | 28257-92-3 |
| Catalog Number | AG003TU2(AGN-PC-0R3SSQ) |
| Chemical Name | Poly(neopentyl Glycol Succinate) |
| IUPAC Name | butanedioic acid;2,2-dimethylpropane-1,3-diol |
| InChI | InChI=1S/C5H12O2.C4H6O4/c1-5(2,3-6)4-7;5-3(6)1-2-4(7)8/h6-7H,3-4H2,1-2H3;1-2H2,(H,5,6)(H,7,8) |
| InChI Key | GXTJJXHLTYJRLX-UHFFFAOYSA-N |
| MDL Number | MFCD00148032 |
| Molecular Formula | C9H18O6 |
| Molecular Weight | 222.2356 |
| SMILES | CC(C)(CO)CO.C(CC(=O)O)C(=O)O |
| Synonyms | 28257-92-3,
SCHEMBL8832713,
CTK4G1105,
212555-40-3,
Poly(neopentyl Glycol Succinate),
Succinate Neopentylglycol Polyester,
Neopentyl Glycol Succinate Polyester,
(C5-H12-O2.C4-H6-O4)x-,
S0099,
Butanedioic acid, polymer with 2,2-dimethyl-1,3-propanediol,
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| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.237g/mol |
| Monoisotopic Mass | 222.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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