| CAS Number | 478249-83-1 |
| Catalog Number | AG00IRHR(AGN-PC-0WAXLG) |
| Chemical Name | 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid |
| IUPAC Name | 3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid |
| InChI | InChI=1S/C17H15NO4/c19-13-7-5-11(6-8-13)15(9-16(20)21)18-10-12-3-1-2-4-14(12)17(18)22/h1-8,15,19H,9-10H2,(H,20,21) |
| InChI Key | KSBYPNQKXURCPV-UHFFFAOYSA-N |
| MDL Number | MFCD02571530 |
| Molecular Formula | C17H15NO4 |
| Molecular Weight | 297.3053 |
| SMILES | O=C2(N(C(C1(=CC=C(O)C=C1))CC(=O)O)CC3(=C2C=CC=C3)) |
| Synonyms | 478249-83-1,
3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid,
3-(4-hydroxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid,
Bionet2_001197,
AC1MX3BM,
Oprea1_326081,
HMS1367G09,
KS-000021MP,
MFCD02571530,
AKOS005104499,
MCULE-4754770176,
OR111108,
9R-0615,
3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid,
3-(4-Hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid, AldrichCPR,
CID3784103,
|
| Complexity | 430 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.31g/mol |
| Monoisotopic Mass | 297.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number