| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 13 | Yes |
Popular Name: 3-(Methoxycarbonyl)benzoic acid 3-(Methoxycarbonyl)benzoic acid
"mono-Methyl isophthalate, 98%"
1,3-benzenedicarboxylic acid, monomethyl ester
Benzene-1,3-dicarboxylic acid monomethyl ester
endo-N,9-Dimethyl-9-azabicyclo[3.3.1]nonan-3-amine; >
Isophthalic acid monomethyl ester
METHOXYCARBONYLBENZOICACID 3()-
Methyl hydrogen isophthalate, 97%
| 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) | 2.00 | 4.77 | -52.89 | 0 | 4 | -1 | 66 | 179.151 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 193 - 195 | Enamine Building Blocks |
| Melting_Point | 193-194? | Alfa-Aesar |
| Melting_Point | 193-194° | Alfa-Aesar |
| MP | 194 - 196 | Enamine Building Blocks |
| MP | 194-196° | Oakwood Chemical |
| MP | 194...196 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
