| CAS Number | 915923-80-7 |
| Catalog Number | AG006GIW(AGN-PC-0WB4K0) |
| Chemical Name | (3,4-Dimethylphenyl)(thiophen-2-yl)methanone |
| IUPAC Name | (3,4-dimethylphenyl)-thiophen-2-ylmethanone |
| InChI | InChI=1S/C13H12OS/c1-9-5-6-11(8-10(9)2)13(14)12-4-3-7-15-12/h3-8H,1-2H3 |
| InChI Key | NULMBVQLHKQESS-UHFFFAOYSA-N |
| MDL Number | MFCD08691764 |
| Molecular Formula | C13H12OS |
| Molecular Weight | 216.2988 |
| SMILES | C(=O)(C1C=CC(=C(C)C=1)C)C1=CC=CS1 |
| Synonyms | 915923-80-7,
(3,4-DIMETHYLPHENYL)(2-THIENYL)METHANONE,
(3,4-Dimethylphenyl)(thiophen-2-yl)methanone,
CTK5H0120,
DTXSID10640552,
CHEMBRDG-BB 6466350,
MFCD08691764,
ZINC11631547,
AKOS009348781,
AJ-59918,
Y-4424,
CHEMBRDG-BB6466350,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.298g/mol |
| Monoisotopic Mass | 216.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number