Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1R,3R,4S,5R)- (CAS 87099-71-6) — formula C16H18O8, molecular weight 338.31; category organic chemicals.
| CAS Number | 87099-71-6 |
|---|---|
| Molecular Formula | C16H18O8 |
| Molecular Weight | 338.31 |
| Melting Point | 247 - 248 °C |
| LogP | -0.1 |
| Category | Organic Chemicals |
Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1R,3R,4S,5R)- is a carbon-based organic compound with CAS registry number 87099-71-6 and molecular formula C16H18O8 (molecular weight 338.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 87099-71-6
Its molecular formula C16H18O8 comprises 16 C, 18 H, 8 O atoms.
Also known as: Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1R,3R,4S,5R)- · 3-O-对羟基肉桂酰奎宁酸
Category: organic chemicals
The CAS registry number of Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1R,3R,4S,5R)- is 87099-71-6.
Molecular formula C16H18O8, molecular weight 338.31.
It is also registered under: Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1R,3R,4S,5R)-, 3-O-对羟基肉桂酰奎宁酸.
Category: Organic Chemicals.
Independent reference data for Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1R,3R,4S,5R)- (CAS 87099-71-6), compiled from public chemistry databases.
| CAS 号 | 87099-71-6 |
|---|---|
| PubChem CID | 9945785 |
| 分子式 | C16H18O8 |
| IUPAC 名称 | (1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid |
| UNII（FDA） | 1AF7V9VW0S |
| Molecular Weight | 338.31 |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 338.10016753 |
| Monoisotopic Mass | 338.10016753 |
| Topological Polar Surface Area | 145 |
| Heavy Atom Count | 24 |
| Melting Point | 247 - 248 °C |
|---|
87099-71-6; 3-p-coumaroylquinic acid; 3-p-Coqa; 1AF7V9VW0S; (1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid; CHEBI:75499; DTXSID201312826; (1R,3R,4S,5R)-1,3,4-trihydroxy-5-((E)-3-(4-hydroxyphenyl)prop-2-enoyl)oxycyclohexane-1-carboxylic acid; RefChem:1068439; DTXCID801742673; 5-O-Coumaroylquinic acid; 3-O-Coumaroylquinic acid; 5-Coumaroyl quinic acid; UNII-1AF7V9VW0S; o-Coumaroylquinic acid; 3-O-p-Coumaroylquinic acid
3-O-对羟基肉桂酰奎宁酸 · CAS 87099-71-6 · C16H18O8. UNII 1AF7V9VW0S. Melting Point: 247 - 248 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-O-对羟基肉桂酰奎宁酸