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Nitric Oxide

Nitric Oxide

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Chlorogenic acid hemihydrate
- ≥99%
Cas Number: 6001-76-9 Compound CID: 71306904

Formula: C16H18O9.0.5H2O Molecular Weight: 363.32

IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid;hydrate

SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O.C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O.O

InChIKey: KMUJVRDSAIKKTF-MTDLMOCGSA-N

InChI: InChI=1S/2C16H18O9.H2O/c2*17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21;/h2*1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23);1H2/b2*show more

Synonyms: Chlorogenic acid hemihydrate, >=98.0% (T) | Chlorogenic acid hemihydrate | (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-Dihydroxyphe...
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