Abscisic Acid（CAS 21293-29-8）：分子式 C15H20O4、分子量 264.32；类别 医药中间体及原料药。
| CAS号 | 21293-29-8 |
|---|---|
| 分子式 | C15H20O4 |
| 分子量 | 264.32 |
| LogP | 1.6 |
| 类别 | Pharmaceutical Raw Materials |
Abscisic Acid 是一种医药中间体或原料药类化合物，登记 CAS 号为 21293-29-8，分子式 C15H20O4（分子量 264.32），归属于医药中间体及原料药大类化工原料。
登记 CAS 号：21293-29-8
其分子式 C15H20O4 由 15 个碳、20 个氢、4 个氧 组成。
别名/同义词：Abscisic Acid · [S-(Z,E)]-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid
所属分类：医药中间体及原料药
Abscisic Acid 的 CAS 登记号为 21293-29-8。
分子式 C15H20O4，分子量 264.32。
别名/同义词：Abscisic Acid、[S-(Z,E)]-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid。
所属分类：Pharmaceutical Raw Materials。
Abscisic Acid（CAS 21293-29-8）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 21293-29-8 |
|---|---|
| PubChem CID | 5280896 |
| Molecular formula | C15H20O4 |
| IUPAC name | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid |
| UNII (FDA) | 72S9A8J5GW |
| Molecular Weight | 264.32 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 264.13615911 |
| Monoisotopic Mass | 264.13615911 |
| Topological Polar Surface Area | 74.6 |
| Heavy Atom Count | 19 |
| Collision Cross Section | 173.8 Ų [M-H]- |
|---|---|
| Collision Cross Section | 159.5 Ų [M+H]+ |
| Collision Cross Section | 175.1 Ų [M+Na]+ |
21293-29-8; ABSCISIC ACID; Abscisin II; Dormin; 72S9A8J5GW; NSC-146877; NSC-148832; Abscissins; Abscissic Acid; 2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (S-(Z,E))-; RefChem:914905; (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid; (+-)-(CIS,TRANS)-ABSCISIC ACID; 244-319-5; (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid; (+)-Abscisic acid
| GHS notification summary | 1.4% (2 / 140) |
|---|
| GHS notification summary | 1.4% (2 / 140) |
|---|---|
| Reported hazard statements | H400, H410 |
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
[S-(Z,E)]-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid · CAS 21293-29-8 · C15H20O4. UNII 72S9A8J5GW. Collision Cross Section: 173.8 Ų [M-H]-; Collision Cross Section: 159.5 Ų [M+H]+; Collision Cross Section: 175.1 Ų [M+Na]+.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Abscisic Acid