| CAS Number | 270088-04-5 |
| Catalog Number | AG00IMH9(AGN-PC-0WQUMV) |
| Chemical Name | 7-Ethynylcoumarin |
| IUPAC Name | 7-ethynylchromen-2-one |
| InChI | InChI=1S/C11H6O2/c1-2-8-3-4-9-5-6-11(12)13-10(9)7-8/h1,3-7H |
| InChI Key | NGKXZMHLZMPKFE-UHFFFAOYSA-N |
| MDL Number | MFCD28668960 |
| Molecular Formula | C11H6O2 |
| Molecular Weight | 170.1641 |
| SMILES | C#Cc1ccc2c(c1)oc(=O)cc2 |
| Synonyms | 7-ethynylcoumarin,
7-Ethynylcoumarin,
270088-04-5,
7-Ethynyl Coumarin,
2H-1-Benzopyran-2-one, 7-ethynyl-,
CHEMBL1908222,
SCHEMBL12488888,
E1092,
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| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.167g/mol |
| Monoisotopic Mass | 170.037g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number