| CAS Number | 60373-70-8 |
| Catalog Number | AG00EO7K(AGN-PC-00B8MU) |
| Chemical Name | 5-Ethylbenzo[d][1,3]dioxole |
| IUPAC Name | 5-ethyl-1,3-benzodioxole |
| InChI | InChI=1S/C9H10O2/c1-2-7-3-4-8-9(5-7)11-6-10-8/h3-5H,2,6H2,1H3 |
| InChI Key | ARGITQZGLVBTTI-UHFFFAOYSA-N |
| MDL Number | MFCD00210444 |
| Molecular Formula | C9H10O2 |
| Molecular Weight | 150.1745 |
| SMILES | CCC1=CC2=C(OCO2)C=C1 |
| Synonyms | 5-Ethylbenzo[d][1,3]dioxole,
60373-70-8,
3,4-(methylenedioxy)-ethylbenzene,
5-ethyl-1,3-benzodioxole,
SCHEMBL92784,
DTXSID30468270,
ARGITQZGLVBTTI-UHFFFAOYSA-N,
ZINC2558110,
FCH840399,
AKOS006274441,
5-ETHYL-2H-1,3-BENZODIOXOLE,
AJ-40103,
AX8249621,
5-ethylbenzo[1,3]dioxole,
CID11542808,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.177g/mol |
| Monoisotopic Mass | 150.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number