3-p-Coumaroylquinic acid
CAS Registry Number®
1899-30-5
No image available.
CAS Name
3-p-Coumaroylquinic acidMolecular Formula
C16H18O8Molecular Mass
338.31Cite this Page
3-p-Coumaroylquinic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1899-30-5 (retrieved ) (CAS RN: 1899-30-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
247-248 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/t11-,12-,14-,16+/m1/s1
InChIKey
InChIKey=BMRSEYFENKXDIS-NCZKRNLISA-N
SMILES
O(C(C=CC1=CC=C(O)C=C1)=O)[C@@H]2C[C@@](C(O)=O)(O)C[C@@H](O)[C@H]2O
Canonical SMILES
O=C(OC1CC(O)(C(=O)O)CC(O)C1O)C=CC2=CC=C(O)C=C2
Other Names for this Substance
- Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1S,3R,4R,5R)-
- Cinnamic acid, p-hydroxy-, 3-ester with 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid
- Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-, [1S-(1α,3α,4α,5β)]-
- Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-, (1S,3R,4R,5R)-
- (1S,3R,4R,5R)-1,3,4-Trihydroxy-5-[[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylic acid
Deleted or Replaced CAS Registry Numbers
19030-00-3, 19030-11-6
