313648-56-5
Product Name:
DiMethyl 5-ethynylisophthalate
Formula:
C12H10O4
Synonyms:
Dimethyl 5-acetylenylphenyl-1,3-dicarboxylate;Dimethyl 5-ethynylbenzene-1,3-dioate
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COMPUTED DESCRIPTORS
| Molecular Weight | 218.20 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 218.05790880 g/mol |
| Monoisotopic Mass | 218.05790880 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 301 |
| 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 |