Basic Information |
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Product Name: | CHLOROGENIC ACID |
CAS: | 6001-76-9 ;327-97-9 |
English Synonyms: | (-)-CHLOROGENIC ACID ; CHLOROGENIC ACID HEMIHYDRATE ; (E)-CHLOROGENIC ACID ; HELIANTHIC ACID ; (1S,3R,4R,5R)-3-[[3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL]OXY]-1,4,5-TRIHYDROXYCYCLOHEXANECARBOXYLIC ACID ; 3-O-(3,4-DIHYDROXYCINNAMOYL)-D-QUINIC ACID ; CAFFEOLYQUINIC ACID ; 3R-[[3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL]OXY]-1S,4R,5R-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACID ; 3-O-CAFFEOYLQUINIC ACID ; CAFFETANNIC ACID ; CHLOROGENIC ACID-TRANS ; 3-CAFFEOYLQUINIC ACID ; 1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBOXYLIC ACID 3-(3,4-DIHYDROXYCINNAMATE) ; CHLOROGENIC ACID ; 3-(3,4-DIHYDROXYCINNAMOYL)QUINIC ACID ; (1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXY-PHENYL)-ACRYLOYLOXY]-1,4,5-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACID ; ISOCHLOROGENIC ACID ; 5-(3,4-DIHYDROXYCINNAMOYL)-D-(-)-QUINIC ACID ; 3-(3,4-DIHYDROXYCINNAMOYL)-D(-)-QUINIC ACID |
MDL Number.: | MFCD00003862 |
H bond acceptor: | 9 |
H bond donor: | 6 |
Smile: | c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)O)(C(=O)O)O)O)O |
InChi: | InChI=1S/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 |
InChiKey: | InChIKey=CWVRJTMFETXNAD-JUHZACGLSA-N |
Property |
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Melting Point: | 210 DEG C (DEC)(LIT)/210℃ |
Comments: | ASSAY METHOD: TITRATION CAUTION: MAY YIELD A HAZY SOLUTION IN ETHANOL UNSPSC: 12352100 WGK: 3 |
Safety information |
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Safe Code: | S:S24/25; |
WGK Germany: | 3 |
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