| CAS Number | 40462-12-2 |
| Catalog Number | AG0077B6(AGN-PC-0WB4P3) |
| Chemical Name | (2Z)-2-Benzylidene-1,3-dioxoindane-5-carboxylic acid |
| IUPAC Name | 2-benzylidene-1,3-dioxoindene-5-carboxylic acid |
| InChI | InChI=1S/C17H10O4/c18-15-12-7-6-11(17(20)21)9-13(12)16(19)14(15)8-10-4-2-1-3-5-10/h1-9H,(H,20,21) |
| InChI Key | KAAZONMQZCIBTC-UHFFFAOYSA-N |
| MDL Number | MFCD03066704 |
| Molecular Formula | C17H10O4 |
| Molecular Weight | 278.2589 |
| SMILES | OC(=O)c1ccc2c(c1)C(=O)C(=Cc1ccccc1)C2=O |
| Synonyms | 40462-12-2,
(2Z)-2-BENZYLIDENE-1,3-DIOXOINDANE-5-CARBOXYLIC ACID,
(Z)-2-Benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid,
AGN-PC-0KALQJ,
AC1MV1DL,
CTK4I3122,
DTXSID30395577,
AKOS030253944,
MCULE-8508181626,
2-benzylidene-1,3-dioxoindene-5-carboxylic acid,
MLS000594864,
CHEMBRDG-BB 6861500,
CID3725675,
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| Complexity | 499 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.263g/mol |
| Monoisotopic Mass | 278.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number