| CAS Number | 71005-11-3 |
| Catalog Number | AG00FHNJ(AGN-PC-0WD055) |
| Chemical Name | Methyl 3-oxo-2,3-dihydro-1H-indene-4-carboxylate |
| IUPAC Name | methyl 3-oxo-1,2-dihydroindene-4-carboxylate |
| InChI | InChI=1S/C11H10O3/c1-14-11(13)8-4-2-3-7-5-6-9(12)10(7)8/h2-4H,5-6H2,1H3 |
| InChI Key | IWXPLHPHGIOZRR-UHFFFAOYSA-N |
| MDL Number | MFCD16037873 |
| Molecular Formula | C11H10O3 |
| Molecular Weight | 190.1953 |
| SMILES | O=C(C1=CC=CC(CC2)=C1C2=O)OC |
| Synonyms | methyl 3-oxo-2,3-dihydro-1H-indene-4-carboxylate,
71005-11-3,
DTXSID70575674,
1H-Indene-4-carboxylic acid, 2,3-dihydro-3-oxo-, methyl ester,
1011AC,
HT1119,
MFCD16037873,
ZINC75824214,
AKOS016000935,
FCH1174111,
AJ-121939,
AX8216719,
C11H10O3,
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| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.198g/mol |
| Monoisotopic Mass | 190.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number