Cyclohexanecarboxylicacid, 1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4,5-dihydroxy-,(1S,3R,4R,5R)- (CAS 19870-46-3) — formula C25H24O12, molecular weight 516.4; category organic chemicals.
| CAS Number | 19870-46-3 |
|---|---|
| Molecular Formula | C25H24O12 |
| Molecular Weight | 516.4 |
| LogP | 1.5 |
| Category | Organic Chemicals |
Cyclohexanecarboxylicacid, 1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4,5-dihydroxy-,(1S,3R,4R,5R)- is a carbon-based organic compound with CAS registry number 19870-46-3 and molecular formula C25H24O12 (molecular weight 516.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 19870-46-3
Its molecular formula C25H24O12 comprises 25 C, 24 H, 12 O atoms.
Also known as: Cyclohexanecarboxylicacid, 1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4,5-dihydroxy-,(1S,3R,4R,5R)- · 1,3-二咖啡酰奎宁酸
Category: organic chemicals
The CAS registry number of Cyclohexanecarboxylicacid, 1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4,5-dihydroxy-,(1S,3R,4R,5R)- is 19870-46-3.
Molecular formula C25H24O12, molecular weight 516.4.
It is also registered under: Cyclohexanecarboxylicacid, 1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4,5-dihydroxy-,(1S,3R,4R,5R)-, 1,3-二咖啡酰奎宁酸.
Category: Organic Chemicals.
Independent reference data for Cyclohexanecarboxylicacid, 1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4,5-dihydroxy-,(1S,3R,4R,5R)- (CAS 19870-46-3), compiled from public chemistry databases.
| CAS 号 | 19870-46-3 |
|---|---|
| PubChem CID | 205954 |
| 分子式 | C25H24O12 |
| IUPAC 名称 | 1,3-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid |
| UNII（FDA） | NS00126849 |
| Molecular Weight | 516.4 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 9 |
| Exact Mass | 516.12677620 |
| Monoisotopic Mass | 516.12677620 |
| Topological Polar Surface Area | 211 |
| Heavy Atom Count | 37 |
1,3-Dicaffeoylquinic acid; 1,3-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid; 1,3-O-Dicaffeoylquinic acid; 1,5-DQA; 3,5-Dicaffeoylquinic acid; 3,5-CQA; SCHEMBL29403588; DTXSID10860455; 1884-23-7; s9512; NS00126849; 1,3-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxy-cyclohexanecarboxylic acid; 1,3-Bis{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxycyclohexane-1-carboxylic acid
1,3-二咖啡酰奎宁酸 · CAS 19870-46-3 · C25H24O12. UNII NS00126849.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1,3-二咖啡酰奎宁酸