Structure Info
- Chemspace ID
- CSSS00000035606 (In-Stock Screening Compounds)
- CAS
- 499-49-0, 1142-57-0, 531-59-9
- MFCD
- MFCD00013986, MFCD09878876
- IUPAC Name
- 5-methylbenzene-1,3-dicarboxylic acid
- Mol formula
- C9H8O4
- Mol weight
- 180 Da
- Catalog Number(s)
- 146042, 499-49-0, 76313, 80080528, A129962, A855, AA003MTG, AB69440, AC007533, ACDS-037672, ACM499490, AD13276, ADB60163001, AG003MW8, AJ69440, AOS003MW8, AR003NL8, AX148547, ArZ-UP088088, ArZ-UP526400, BB026867, BBV-39688086, BD21030, CB20823, CD12067964, CS-W016008, CSC000035606, D380397, D688347, EN300-113870, F065615, FCG1697234477, FM140229, FR-2039, HY-W015292, J53694, K07263, LAN-B35133, LN00010692, LP035787, LQT-B35197, M1903, M218945, OR12006, PB1255563104, PS-3522, R012186, RS20016108, SAB-007827, SC-27236, SY005375, V32311, Z1255485636, ZX-AE027789, ZX-ARV18358, ZX-RC064525
- 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
- CSSS00000035606
Items Overall 18 items from 4 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 | |
| Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 95 | 1 mg | 55 | |
| Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 95 | 5 mg | 68 | |
| Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 95 | 10 mg | 92 |
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