Cas no 123251-09-2 ((S)-Patulin Methyl Ether)

(S)-Patulin Methyl Ether structure
(S)-Patulin Methyl Ether structure
Product Name:(S)-Patulin Methyl Ether
CAS No:123251-09-2
MF:C8H8O4
MW:168.146722793579
CID:1062138
PubChem ID:14356658
Update Time:2025-07-12

(S)-Patulin Methyl Ether Chemical and Physical Properties

Names and Identifiers

    • (S)-Patulin Methyl Ether
    • (4S)-4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one
    • (S)-Patulin Methyl E
    • methylpatulin
    • 4-methoxy-4,6-dihydrouro[3,2-c]pyran-2-one
    • CHEBI:210120
    • (S)-O-Methyl Patulin
    • (4S)-4-Methoxy-4H-furo[3,2-c]pyran-2(6H)-one
    • (4S)-4-methoxy-2H,4H,6H-furo[3,2-c]pyran-2-one
    • Aspergilsmin C
    • 123251-09-2
    • (S)-4-Methoxy-4H-furo[3,2-c]pyran-2(6H)-one
    • A905713
    • DTXSID60559302
    • J-004902
    • (S)-4-Methoxy-4H-furo[3,2-c]pyran-2(6H)-one; (S)-O-Methyl Patulin;
    • Inchi: 1S/C8H8O4/c1-10-8-5-4-7(9)12-6(5)2-3-11-8/h2,4,8H,3H2,1H3/t8-/m0/s1
    • InChI Key: VPGCSEQPAOOVGQ-QMMMGPOBSA-N
    • SMILES: O1CC=C2C(=CC(=O)O2)[C@H]1OC

Computed Properties

  • Exact Mass: 168.04200
  • Monoisotopic Mass: 168.04225873g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 277
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.5
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • PSA: 44.76000
  • LogP: 0.35620

(S)-Patulin Methyl Ether Pricemore >>

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(S)-Patulin Methyl Ether Production Method

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