2-allyl-1,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo]oxy]-3,5-dihydroxycyclohexanecarboxylic acid (CAS 251320-68-0) — formula C25H24O12, molecular weight 516.4; category organic chemicals.
| CAS Number | 251320-68-0 |
|---|---|
| Molecular Formula | C25H24O12 |
| Molecular Weight | 516.4 |
| LogP | 1.5 |
| Category | Organic Chemicals |
2-allyl-1,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo]oxy]-3,5-dihydroxycyclohexanecarboxylic acid is a carbon-based organic compound with CAS registry number 251320-68-0 and molecular formula C25H24O12 (molecular weight 516.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 251320-68-0
Its molecular formula C25H24O12 comprises 25 C, 24 H, 12 O atoms.
Also known as: 2-allyl-1,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo]oxy]-3,5-dihydroxycyclohexanecarboxylic acid · 2-烯丙基-1,4-双[[3-(3,4-二羟基苯基)-1-氧代]氧基]-3,5-二羟基环己烷甲酸
Category: organic chemicals
The CAS registry number of 2-allyl-1,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo]oxy]-3,5-dihydroxycyclohexanecarboxylic acid is 251320-68-0.
Molecular formula C25H24O12, molecular weight 516.4.
It is also registered under: 2-allyl-1,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo]oxy]-3,5-dihydroxycyclohexanecarboxylic acid, 2-烯丙基-1,4-双[[3-(3,4-二羟基苯基)-1-氧代]氧基]-3,5-二羟基环己烷甲酸.
Category: Organic Chemicals.
Independent reference data for 2-allyl-1,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo]oxy]-3,5-dihydroxycyclohexanecarboxylic acid (CAS 251320-68-0), compiled from public chemistry databases.
| CAS Registry Number | 251320-68-0 |
|---|---|
| PubChem CID | 12358846 |
| Molecular formula | C25H24O12 |
| IUPAC name | trans-(3R,5R)-1,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,5-dihydroxycyclohexane-1-carboxylic acid |
| UNII (FDA) | 50048OZ68I |
| 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 |
Dicaffeoylquinic acid; RefChem:416717; 71275-40-6; 1,4-Dicaffeoylquinic acid; 1182-34-9; 1,4-Di-O-caffeoylquinic acid; 1,4-Dicqa; 1,4-Dicaffeylquinic acid; NSC 91529; 50048OZ68I; (3R,5R)-1,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,5-dihydroxycyclohexane-1-carboxylic acid; 251320-68-0; 1,4-DCQA; 1,4-O-Dicaffeoylquinic acid; NSC-91529; CIN [Italian]
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
2-allyl-1,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo]oxy]-3,5-dihydroxycyclohexanecarboxylic acid · CAS 251320-68-0 · C25H24O12. UNII 50048OZ68I.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.