Chemical Name - Tri Methylol Propane
Mol Weight - 134.174
Smiles - CCC(CO)(CO)CO
Mol Weight - 134.174
Smiles - CCC(CO)(CO)CO
| Property Value | |
| Mol Name | Tri Methylol Propane |
| Molweight | 134.174 |
| Monoisotopic Mass | 134.094295 |
| Clogp | -0.11 |
| Clogs | -0.34 |
| H Acceptors | 3 |
| H Donors | 3 |
| Total Surface Area | 110.26 |
| Relative Psa | 0.35643 |
| Polar Surface Area | 60.69 |
| Druglikeness | -4.8711 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Shape Index | 0.55556 |
| Molecular Flexibility | 0.87503 |
| Molecular Complexity | 0.59947 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 4 |
| Sp3 Atoms | 9 |
| Symmetric Atoms | 4 |
| Smiles | CCC(CO)(CO)CO |
| InChIKey | InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3 |
| InChI | ZJCCRDAZUWHFQH-UHFFFAOYSA-N |
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1 - Tri Methylol Propane
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