Cas no 5509-70-6 (4-O-cinnamoylquinic acid)

4-O-cinnamoylquinic acid structure
4-O-cinnamoylquinic acid structure
Product Name:4-O-cinnamoylquinic acid
CAS No:5509-70-6
MF:C16H18O7
MW:322.309925556183
CID:2025931
PubChem ID:162861922
Update Time:2025-04-21

4-O-cinnamoylquinic acid Chemical and Physical Properties

Names and Identifiers

    • 4-O-cinnamoylquinic acid
    • O4-Cinnamoyl-chinasaeure
    • 5509-70-6
    • (3R,5R)-1,3,5-trihydroxy-4-[(E)-3-phenylprop-2-enoyl]oxycyclohexane-1-carboxylic acid
    • 4-O-Cinnamoyl quinic acid
    • HY-N8217
    • E88779
    • AKOS040763628
    • CS-0140315
    • Inchi: 1S/C16H18O7/c17-11-8-16(22,15(20)21)9-12(18)14(11)23-13(19)7-6-10-4-2-1-3-5-10/h1-7,11-12,14,17-18,22H,8-9H2,(H,20,21)/b7-6+
    • InChI Key: CLDAKARZYFIUGC-VOTSOKGWSA-N
    • SMILES: O(C(/C=C/C1C=CC=CC=1)=O)C1C(CC(C(=O)O)(CC1O)O)O

Computed Properties

  • Exact Mass: 322.10525291g/mol
  • Monoisotopic Mass: 322.10525291g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 5
  • Complexity: 455
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: -0.130000000000001
  • Topological Polar Surface Area: 124?2

4-O-cinnamoylquinic acid Pricemore >>

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