Chemindex > 906-33-2
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[1R-(1α,3α,4α,5β)]-3-[[3-(3,4-dihydroxyphenyl)-1-oxoallyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid |
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| Chemical Name | [1R-(1α,3α,4α,5β)]-3-[[3-(3,4-dihydroxyphenyl)-1-oxoallyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid |
| Synonyms | 3-{[3-(3,4-dihydroxyphenyl)acryloyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid;(1R,3R,4S,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid;Neochlorogenic acid |
| Molecular Formula | C16H18O9 |
| Molecular Weight | 354.3087 |
| InChl | InChI=1/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1 |
| CAS Registry Number | 906-33-2 |
| EINECS | 212-997-1 |
| Molecular Structure | ![906-33-2 [1R-(1α,3α,4α,5β)]-3-[[3-(3,4-dihydroxyphenyl)-1-oxoallyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid](https://images-a.chemnet.com/suppliers/chembase/cas/cas906-33-2.gif "906-33-2 [1R-(1α,3α,4α,5β)]-3-[[3-(3,4-dihydroxyphenyl)-1-oxoallyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid") |
| Density | 1.65g/cm3 |
| Boiling Point | 665°C at 760 mmHg |
| Refractive Index | 1.69 |
| Flash Point | 245.5°C |
| Vapour Pressur | 1.38E-18mmHg at 25°C |
| MSDS | |
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