Structure Info
- Chemspace ID
- CSSS00000094971 (In-Stock Screening Compounds)
- CAS
- 3347-99-7, 60578-85-0
- MFCD
- MFCD09878876
- IUPAC Name
- 4-methylbenzene-1,3-dicarboxylic acid
- Mol formula
- C9H8O4
- Mol weight
- 180 Da
- Catalog Number(s)
- 05R0304, 163248, 2889AJ, 3347-99-7, A019150380, A409311, AA00CKSI, ABC01005926, ACDS-048258, ACM3347997-2, AF86718, AG00CKVA, AG139751, AN86718, AOS00CKVA, AR00CLKA, AS-64176, ArZ-UP122874, ArZ-UP211067, ArZ-UP377886, ArZ-UP505349, BB021736, BBV-38311897, BD227336, C15605, C15605-0.25G, CB11500, CD12082332, CS-0061172, CSC000094971, D522086, D912600, DAA34799, EN300-92400, F385158, FCG2235020964, HY-W024661, JH261446, LAN-B62769, LN01361438, M592995, OR81322, P51282, PB1198313131, SAB-076110, SC-04369, SY026352, Y0990054, Y1048731, Z1198235663, ZX-AE062575, ZX-NM183755, ZXC151022, ZXC220982
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.8
- Heavy atoms count
- 13
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.111
- Polar surface area (Å)
- 75
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSSS00000094971
Items Overall 15 items from 3 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd | 5 days | Ukraine To: | 90 | 1 mg | 74 | |
| Enamine Ltd | 5 days | Ukraine To: | 90 | 2 mg | 76 | |
| Enamine Ltd | 5 days | Ukraine To: | 90 | 5 mg | 82 | |
| Enamine Ltd | 5 days | Ukraine To: | 90 | 10 mg | 92 | |
| Enamine Ltd | 5 days | Ukraine To: | 90 | 20 mg | 111 | |
| FCH Group | 5 days | Ukraine To: | 90 | 1 mg | 74 | |
| FCH Group | 5 days | Ukraine To: | 90 | 2 mg | 76 | |
| FCH Group | 5 days | Ukraine To: | 90 | 5 mg | 82 | |
| FCH Group | 5 days | Ukraine To: | 90 | 10 mg | 92 | |
| FCH Group | 5 days | Ukraine To: | 90 | 20 mg | 111 | |
| UORSY | 5 days | Ukraine To: | 90 | 1 mg | 74 | |
| UORSY | 5 days | Ukraine To: | 90 | 2 mg | 76 | |
| UORSY | 5 days | Ukraine To: | 90 | 5 mg | 82 | |
| UORSY | 5 days | Ukraine To: | 90 | 10 mg | 92 | |
| UORSY | 5 days | Ukraine To: | 90 | 20 mg | 111 |
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