Shikimic acid (CAS 138-59-0) — formula C7H10O5, molecular weight 174.15; category organic chemicals.
Shikimic acid is a carbon-based organic compound with CAS registry number 138-59-0 and molecular formula C7H10O5 (molecular weight 174.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 138-59-0
Its molecular formula C7H10O5 comprises 7 C, 10 H, 5 O atoms.
Also known as: Shikimic acid · L-Shikimic acid
Category: organic chemicals
The CAS registry number of Shikimic acid is 138-59-0.
Molecular formula C7H10O5, molecular weight 174.15.
It is also registered under: Shikimic acid, L-Shikimic acid.
Category: Organic Chemicals.
Public-database records for Shikimic acid (CAS 138-59-0), reproduced here for independent cross-checking.
| GHS 通报统计 | 8.3% (3 / 36) |
|---|---|
| 已通报的危害声明 | H318 (86.1%) |
| GHS 通报统计 | 8.3% (3 / 36) |
|---|
| 熔点 | 183-184.5 °C |
|---|---|
| 熔点 | 186 °C |
| 溶解度 | 150 mg/mL at 21 °C |
| 蒸气压 | 0.00000001 [mmHg] |
| Dissociation Constants | K = 7.1X10-5 at 14.1 °C |
| Collision Cross Section | 137.7 Ų [M-H]- |
| Collision Cross Section | 148.6 Ų [M+H]+ |
| CAS 号 | 138-59-0 |
|---|---|
| PubChem CID | 8742 |
| 分子式 | C7H10O5 |
| 分子量 | 174.05 g/mol |
| IUPAC 名称 | (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid |
| InChIKey | JXOHGGNKMLTUBP-HSUXUTPPSA-N |
| UNII（FDA） | 29MS2WI2NU |
| ChEBI 编号 | CHEBI:16119 |
shikimic acid; 138-59-0; (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID; 1-cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R,4S,5R)-; Bracken fern toxic component; (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid; 3alpha,4alpha,5beta-Trihydroxy-1-cyclohexene-1-carboxylic acid; 29MS2WI2NU; VEROCHIC; DTXSID4032039; 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R-(3alpha,4alpha,5beta))-; 3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid; CHEBI:16119; NSC-59257; Acid, Shikimic; Shikimic Acid Derivatives
| 分子量 | 174.15 |
|---|---|
| XLogP3 | -1.7 |
| 氢键供体数 | 4 |
| 氢键受体数 | 5 |
| 可旋转键数 | 1 |
| 精确质量 | 174.05282342 |
| 单同位素质量 | 174.05282342 |
| 拓扑极性表面积 | 98 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
L-Shikimic acid 的 CAS 号为 138-59-0，分子式 C7H10O5，分子量 174.05 g/mol。 UNII 29MS2WI2NU; ChEBI 16119; InChIKey JXOHGGNKMLTUBP-HSUXUTPPSA-N. 熔点: 183-184.5 °C; 熔点: 186 °C; 溶解度: 150 mg/mL at 21 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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