| CAS Number | 1094750-05-6 |
| Catalog Number | AG01AHTJ |
| Chemical Name | 8-ethyl-3,4-dihydro-2H-1-benzopyran-4-one |
| IUPAC Name | 8-ethyl-2,3-dihydrochromen-4-one |
| InChI | InChI=1S/C11H12O2/c1-2-8-4-3-5-9-10(12)6-7-13-11(8)9/h3-5H,2,6-7H2,1H3 |
| InChI Key | PMQXQLMMLFHILC-UHFFFAOYSA-N |
| MDL Number | MFCD11651593 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | CCC1=C2C(C(CCO2)=O)=CC=C1 |
| Synonyms | 8-ethyl-3,4-dihydro-2H-1-benzopyran-4-one,
1094750-05-6,
SCHEMBL6832866,
ZINC36985073,
AKOS009395147,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number