(-)-3-DEHYDROSHIKIMIC ACID (CAS 2922-42-1) — formula C7H8O5, molecular weight 172.13; category organic chemicals.
| CAS Number | 2922-42-1 |
|---|---|
| Molecular Formula | C7H8O5 |
| Molecular Weight | 172.13 |
| LogP | -1.4 |
| Category | Organic Chemicals |
(-)-3-DEHYDROSHIKIMIC ACID is a carbon-based organic compound with CAS registry number 2922-42-1 and molecular formula C7H8O5 (molecular weight 172.13), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2922-42-1
Its molecular formula C7H8O5 comprises 7 C, 8 H, 5 O atoms.
Also known as: (-)-3-DEHYDROSHIKIMIC ACID · (-)-3-去氢莽草酸
Category: organic chemicals
The CAS registry number of (-)-3-DEHYDROSHIKIMIC ACID is 2922-42-1.
Molecular formula C7H8O5, molecular weight 172.13.
It is also registered under: (-)-3-DEHYDROSHIKIMIC ACID, (-)-3-去氢莽草酸.
Category: Organic Chemicals.
Independent reference data for (-)-3-DEHYDROSHIKIMIC ACID (CAS 2922-42-1), compiled from public chemistry databases.
| CAS 号 | 2922-42-1 |
|---|---|
| PubChem CID | 439774 |
| 分子式 | C7H8O5 |
| IUPAC 名称 | (4S,5R)-4,5-dihydroxy-3-oxocyclohexene-1-carboxylic acid |
| UNII（FDA） | NS00073196 |
| Molecular Weight | 172.13 |
|---|---|
| XLogP3 | -1.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 172.03717335 |
| Monoisotopic Mass | 172.03717335 |
| Topological Polar Surface Area | 94.8 |
| Heavy Atom Count | 12 |
| Collision Cross Section | 132.2 Ų [M-H]- |
|---|---|
| Collision Cross Section | 131.9 Ų [M+H]+ |
| Collision Cross Section | 149.2 Ų [M+Na]+ |
3-dehydroshikimate; (4S,5R)-4,5-dihydroxy-3-oxocyclohexene-1-carboxylic acid; (4S,5R)-4,5-bis(oxidanyl)-3-oxidanylidene-cyclohexene-1-carboxylic acid; CHEBI:16630; (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylate; RefChem:93651; 27655-56-7; 2922-42-1; (-)-3-dehydroshikimic acid; (-)-3-Dehydro Shikimic Acid; 3-dehydroshikimic acid; (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid; 1-Cyclohexene-1-carboxylic acid, 4,5-dihydroxy-3-oxo-, (4S,5R)-; Shikimic Acid Impurity 9; Shikimic acid, 3-dehydro-; (-)-3-DehydroShikimicAcid
| 已通报的危害声明 | H319 (100%) |
|---|
(-)-3-去氢莽草酸 · CAS 2922-42-1 · C7H8O5. UNII NS00073196. Collision Cross Section: 132.2 Ų [M-H]-; Collision Cross Section: 131.9 Ų [M+H]+; Collision Cross Section: 149.2 Ų [M+Na]+.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (-)-3-去氢莽草酸