| CAS Number | 51514-36-4 |
| Catalog Number | AG00DJ9P(AGN-PC-0NKR0Q) |
| Chemical Name | 1-(3-Methoxythiophen-2-yl)ethanone |
| IUPAC Name | 1-(3-methoxythiophen-2-yl)ethanone |
| InChI | InChI=1S/C7H8O2S/c1-5(8)7-6(9-2)3-4-10-7/h3-4H,1-2H3 |
| InChI Key | NXPSPTQOPSNBNC-UHFFFAOYSA-N |
| MDL Number | MFCD16658745 |
| Molecular Formula | C7H8O2S |
| Molecular Weight | 156.2022 |
| SMILES | COC1=C(C(C)=O)SC=C1 |
| Synonyms | 51514-36-4,
1-(3-Methoxythien-2-yl)ethanone,
1-(3-methoxythiophen-2-yl)ethanone,
1-(3-methoxythiophen-2-yl)ethan-1-one,
SCHEMBL7759208,
1-(3-Methoxy-2-thienyl)ethanone,
MFCD16658745,
ZINC34725929,
AKOS017518399,
AS-8953,
Ethanone, 1-(3-methoxy-2-thienyl)-,
NE31673,
DA-05306,
FT-0706201,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.199g/mol |
| Monoisotopic Mass | 156.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number