| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 12 | Yes |
Popular Name: Isophthalic acid Isophthalic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 112043-90-0 , 121-91-5 , 55185-18-7
1,3-BENZENE(DICARBOXYLIC ACID-13C2)
CPD0-1267; IPA; isophthalate; isophthalic acid; m-benzene-1,3-dicarboxylic acid
IPA; m-benzenedicarboxylic acid; meta-benzenedicarboxylic acid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.74 | 5.61 | -107.64 | 0 | 4 | -2 | 80 | 164.116 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 340 | TCI |
| Mp [°C] | 341 - 343 | Acros Organics |
| MP | 341-343° | Oakwood Chemical |
| MP | 341...343 | Enamine Building Blocks |
| Melting_Point | 344-348? subl. | Alfa-Aesar |
| Melting_Point | 344-348° subl. | Alfa-Aesar |
| mp | 67 - 68 | MolMall (formerly Molecular Diversity Preservation International) |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 99% | Fluorochem |
| UniProt Database Links | DPIA_SHIFL; MXIA_SHIFL; MXIA_SHISO; MXIC_SHIFL; MXID_SHIFL; MXID_SHISO; MXIE_SHIFL; MXIE_SHISO; MXIG_SHIFL; MXIG_SHISO; MXIH_SHIFL; MXIH_SHISO; MXII_SHIFL; MXII_SHISO; MXIJ_SHIFL; MXIJ_SHISO; MXIK_SHIFL; MXIK_SHISO; MXIM_SHIFL; MXIM_SHISO; PACC_EMENI; PAL | ChEBI |
| Patent Database Links | EP0827954; EP0962459; EP1149836; EP1256564; EP1604646; EP1803758; EP1816116; EP1908456; GB2081095; US2001036653; US2003069135; US2004124397; US2005163835; US2005197401; US2007218091; US2007264265; US2007286840; WO2006023864 | ChEBI |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
