| CAS Number | 782471-87-8 |
| Catalog Number | AG00GC7T(AGN-PC-0UD6N9) |
| Chemical Name | 2,3-Dihydro-1,4-benzodioxin-6-yl formate |
| IUPAC Name | 2,3-dihydro-1,4-benzodioxin-6-yl formate |
| InChI | InChI=1S/C9H8O4/c10-6-13-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5-6H,3-4H2 |
| InChI Key | RCRSXIPOWVEBGN-UHFFFAOYSA-N |
| MDL Number | MFCD27959070 |
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.1574 |
| SMILES | O=COC1=CC2=C(OCCO2)C=C1 |
| Synonyms | 2,3-dihydro-1,4-benzodioxin-6-yl formate,
782471-87-8,
1,4-Benzodioxin-6-ol,2,3-dihydro-,formate(9CI),
ZINC39090013,
NE59109,
1,4-Benzodioxin-6-ol, 2,3-dihydro-, formate (9CI),
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.159g/mol |
| Monoisotopic Mass | 180.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number