| CAS Number | 672904-14-2 |
| Catalog Number | AG00FGT8(AGN-PC-03ALZV) |
| Chemical Name | 6-ethylchroman-4-one |
| IUPAC Name | 6-ethyl-2,3-dihydrochromen-4-one |
| InChI | InChI=1S/C11H12O2/c1-2-8-3-4-11-9(7-8)10(12)5-6-13-11/h3-4,7H,2,5-6H2,1H3 |
| InChI Key | RIOPQFHGBYBLIQ-UHFFFAOYSA-N |
| MDL Number | MFCD03789268 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | O=C1CCOC2=C1C=C(CC)C=C2 |
| Synonyms | 672904-14-2,
6-ETHYLCHROMAN-4-ONE,
6-Ethyl-2,3-dihydro-4H-chromen-4-one,
6-ethyl-3,4-dihydro-2H-1-benzopyran-4-one,
4H-1-Benzopyran-4-one, 6-ethyl-2,3-dihydro-,
6-Ethyl-4-chromanone,
6-ethyl-2,3-dihydro-4H-1-Benzopyran-4-one,
AMOT0803,
SCHEMBL8278098,
CE-864,
MFCD03789268,
ZINC36928556,
NE54146,
DB-073860,
FT-0709471,
ACN-041100,
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| 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
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