Mol Weight - 189.17
Smiles - OC(c1noc(-c2ccccc2)c1)=O
InChI - XJYOBHXWBRKOQO-UHFFFAOYSA-N
InChIKey - InChI=1S/C10H7NO3/c12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
| Property Name | Property Value |
| Mol Name | 5-Phenylisoxazole-3-carboxylic acid |
| Molweight | 189.17 |
| Monoisotopic Mass | 189.042594 |
| Clogp | 1.3592 |
| Clogs | -2.528 |
| H Acceptors | 4 |
| H Donors | 1 |
| Total Surface Area | 145.57 |
| Relative Psa | 0.35186 |
| Polar Surface Area | 63.33 |
| Druglikeness | 1.708 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.64286 |
| Molecular Flexibility | 0.3869 |
| Molecular Complexity | 0.626 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 2 |
| Aromatic Nitrogens | 1 |
| Acidic Oxygens | 1 |
| Smiles | OC(c1noc(-c2ccccc2)c1)=O |
| InChIKey | InChI=1S/C10H7NO3/c12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13) |
| InChI | XJYOBHXWBRKOQO-UHFFFAOYSA-N |
Copyrights
The copyrights of data, design, and listing all reserved to Global Manufacturers and its associated sites.
Company profile, trade leads and products are user generated content.
Molecule Properties are generated theoretically — any objection please contact us.
Shipping
Usually delivered in 3–4 days.
Enter pincode for exact delivery dates/charges.
Credit / Debit Card Payment
We accept all major credit / debit cards for payment; you can also pay through online banking.
Cash On Delivery
If available, select Cash on Delivery (CoD) payment option while placing the order and pay in cash at the time of actual delivery. No advance payment needed.
1 — 5-Phenylisoxazole-3-carboxylic acid | 2 — 5-Phenylisoxazole-3-carboxylic acid