| CAS Number | 85878-59-7 |
| Catalog Number | AG008GA0(AGN-PC-0OK3QZ) |
| Chemical Name | 2,3-Dihydro-1-benzofuran-6-yl acetate |
| IUPAC Name | 2,3-dihydro-1-benzofuran-6-yl acetate |
| InChI | InChI=1S/C10H10O3/c1-7(11)13-9-3-2-8-4-5-12-10(8)6-9/h2-3,6H,4-5H2,1H3 |
| InChI Key | OTTPPKDGMDMCAX-UHFFFAOYSA-N |
| MDL Number | MFCD00968686 |
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.1846 |
| NSC Number | 45799 |
| SMILES | C12OCCC=1C=CC(OC(=O)C)=C2 |
| Synonyms | 2,3-dihydro-1-benzofuran-6-yl acetate,
85878-59-7,
2,3-dihydrobenzofuran-6-yl acetate,
6-acetoxycoumaran,
NSC45799,
AC1L645N,
SCHEMBL6266662,
CTK3F0009,
DTXSID80286441,
ZINC1677592,
NSC-45799,
AKOS030620717,
6-Benzofuranol, 2,3-dihydro-, 6-acetate,
CID239968,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.187g/mol |
| Monoisotopic Mass | 178.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number