1-Cyclohexene-1-carboxylic acid, 5-((3-(3,4-dihydroxyphenyl)-1-oxo-2-p ropenyl)oxy)-3,4-dihydroxy-, (3R-(3alpha,4alpha,5beta))- (CAS 73263-62-4) — formula C16H16O8, molecular weight 336.29; category organic chemicals.
| CAS Number | 73263-62-4 |
|---|---|
| Molecular Formula | C16H16O8 |
| Molecular Weight | 336.29 |
| Melting Point | 300 °C |
| LogP | 0.2 |
| Category | Organic Chemicals |
1-Cyclohexene-1-carboxylic acid, 5-((3-(3,4-dihydroxyphenyl)-1-oxo-2-p ropenyl)oxy)-3,4-dihydroxy-, (3R-(3alpha,4alpha,5beta))- is a carbon-based organic compound with CAS registry number 73263-62-4 and molecular formula C16H16O8 (molecular weight 336.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 73263-62-4
Its molecular formula C16H16O8 comprises 16 C, 16 H, 8 O atoms.
Also known as: 1-Cyclohexene-1-carboxylic acid, 5-((3-(3,4-dihydroxyphenyl)-1-oxo-2-p ropenyl)oxy)-3,4-dihydroxy-, (3R-(3alpha,4alpha,5beta))- · 5-O-咖啡酰莽草酸
Category: organic chemicals
The CAS registry number of 1-Cyclohexene-1-carboxylic acid, 5-((3-(3,4-dihydroxyphenyl)-1-oxo-2-p ropenyl)oxy)-3,4-dihydroxy-, (3R-(3alpha,4alpha,5beta))- is 73263-62-4.
Molecular formula C16H16O8, molecular weight 336.29.
It is also registered under: 1-Cyclohexene-1-carboxylic acid, 5-((3-(3,4-dihydroxyphenyl)-1-oxo-2-p ropenyl)oxy)-3,4-dihydroxy-, (3R-(3alpha,4alpha,5beta))-, 5-O-咖啡酰莽草酸.
Category: Organic Chemicals.
Independent reference data for 1-Cyclohexene-1-carboxylic acid, 5-((3-(3,4-dihydroxyphenyl)-1-oxo-2-p ropenyl)oxy)-3,4-dihydroxy-, (3R-(3alpha,4alpha,5beta))- (CAS 73263-62-4), compiled from public chemistry databases.
| CAS 号 | 73263-62-4 |
|---|---|
| PubChem CID | 5281762 |
| 分子式 | C16H16O8 |
| IUPAC 名称 | (3R,4R,5R)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid |
| UNII（FDA） | 5U399BD0RZ |
| Molecular Weight | 336.29 |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 336.08451746 |
| Monoisotopic Mass | 336.08451746 |
| Topological Polar Surface Area | 145 |
| Heavy Atom Count | 24 |
| Melting Point | 300 °C |
|---|
5-O-Caffeoylshikimic acid; 73263-62-4; 5-caffeoylshikimic acid; 5U399BD0RZ; (3R,4R,5R)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid; DTXSID501312675; (3R,4R,5R)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxy-cyclohexene-1-carboxylic acid; (3R,4R,5R)-5-((E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxy-3,4-dihydroxy-cyclohexene-1-carboxylic acid; (3R,4R,5R)-5-((E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxy-3,4-dihydroxycyclohexene-1-carboxylic acid; RefChem:26000; DTXCID801742461; MEGxp0_000239; ACon1_000160; (3R,4R,5R)-5-(((E)-3-(3,4-Dihydroxyphenyl)acryloyl)oxy)-3,4-dihydroxycyclohex-1-enecarboxylic acid; (3R,4R,5R)-5-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxycyclohex-1-ene-1-carboxylic acid; AC1NQZ12
5-O-咖啡酰莽草酸 · CAS 73263-62-4 · C16H16O8. UNII 5U399BD0RZ. Melting Point: 300 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 5-O-咖啡酰莽草酸