| CAS Number | 83751-12-6 |
| Catalog Number | AG00GC42(AGN-PC-0WAN7Y) |
| Chemical Name | 5-Benzofurancarboxylic acid, 2,3-dihydro-, ethyl ester |
| IUPAC Name | ethyl 2,3-dihydro-1-benzofuran-5-carboxylate |
| InChI | InChI=1S/C11H12O3/c1-2-13-11(12)9-3-4-10-8(7-9)5-6-14-10/h3-4,7H,2,5-6H2,1H3 |
| InChI Key | RDFGKEYAPCVISE-UHFFFAOYSA-N |
| MDL Number | MFCD06204418 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | O=C(C1=CC=C(OCC2)C2=C1)OCC |
| Synonyms | Ethyl 2,3-dihydrobenzofuran-5-carboxylate,
83751-12-6,
2,3-Dihydro-benzofuran-5-carboxylic acid ethyl ester,
5-Benzofurancarboxylic acid, 2,3-dihydro-, ethyl ester,
DTXSID90733996,
MFCD06204418,
ZINC43503495,
AKOS009228779,
ACN-046670,
DS-7699,
AK143640,
AJ-108682,
ethyl 2,3-dihydro-1-benzofuran-5-carboxylate,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.214g/mol |
| Monoisotopic Mass | 192.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number