| CAS Number | 22955-78-8 |
| Catalog Number | AG01AP18(AGN-PC-0QZH2G) |
| Chemical Name | Methyl 6-methoxy-1-oxo-2,3-dihydro-1H-indene-2-carboxylate |
| IUPAC Name | methyl 5-methoxy-3-oxo-1,2-dihydroindene-2-carboxylate |
| InChI | InChI=1S/C12H12O4/c1-15-8-4-3-7-5-10(12(14)16-2)11(13)9(7)6-8/h3-4,6,10H,5H2,1-2H3 |
| InChI Key | WRMZEXPQHVTWJA-UHFFFAOYSA-N |
| MDL Number | MFCD08694475 |
| Molecular Formula | C12H12O4 |
| Molecular Weight | 220.2213 |
| SMILES | COC(C1C(=O)C2=C(C=CC(=C2)OC)C1)=O |
| Synonyms | METHYL 6-METHOXY-1-OXO-2,3-DIHYDRO-1H-INDENE-2-CARBOXYLATE,
22955-78-8,
SCHEMBL385595,
WRMZEXPQHVTWJA-UHFFFAOYSA-N,
MFCD08694475,
AKOS000280147,
AKOS017559009,
AS-42419,
DA-43147,
FT-0747349,
Methyl 6-Methoxy-1-oxo-indan-2-carboxylate,
1-Oxo-6-methoxyindan-2-carboxylic acid methyl ester,
6-Methoxy-1-oxo-indan-2-carboxylic acid methyl ester,
methyl 6-methoxy-1-oxo-2,3-dihydro-1H-indene-2-carboxylat,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.224g/mol |
| Monoisotopic Mass | 220.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number