| CAS Number | 69160-56-1 |
| Catalog Number | AG00FDOT(AGN-PC-0TUVDE) |
| Chemical Name | cis-2-((1,3-Dioxoisoindolin-2-yl)methyl)-1-phenylcyclopropanecarboxylic acid |
| IUPAC Name | (1R,2S)-2-[(1,3-dioxoisoindol-2-yl)methyl]-1-phenylcyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C19H15NO4/c21-16-14-8-4-5-9-15(14)17(22)20(16)11-13-10-19(13,18(23)24)12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,23,24)/t13-,19+/m1/s1 |
| InChI Key | XWJCCJTWOLBUSW-YJYMSZOUSA-N |
| MDL Number | MFCD11046368 |
| Molecular Formula | C19H15NO4 |
| Molecular Weight | 321.3267 |
| SMILES | OC(=O)[C@]1(C[C@H]1CN2C(=O)c3ccccc3C2=O)c4ccccc4 |
| Synonyms | cis-2-((1,3-Dioxoisoindolin-2-yl)methyl)-1-phenylcyclopropanecarboxylic acid,
69160-56-1,
ZINC38207888,
AKOS024465118,
AK163842,
AX8294946,
ACN-040775,
(Z)-1-Phenyl-2-(phthalimidomethyl)cyclopropanecarboxylic acid,
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| Complexity | 544 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.332g/mol |
| Monoisotopic Mass | 321.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number