Cas no 141590-39-8 (Benzaldehyde, 2-hydroxy-5-methoxy-4-[(3-methyl-2-butenyl)oxy]-)

Benzaldehyde, 2-hydroxy-5-methoxy-4-[(3-methyl-2-butenyl)oxy]- structure
141590-39-8 structure
Product Name:Benzaldehyde, 2-hydroxy-5-methoxy-4-[(3-methyl-2-butenyl)oxy]-
CAS No:141590-39-8
MF:C13H16O4
MW:236.263744354248
CID:2774284
Update Time:2023-08-07

Benzaldehyde, 2-hydroxy-5-methoxy-4-[(3-methyl-2-butenyl)oxy]- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 2-hydroxy-5-methoxy-4-[(3-methyl-2-butenyl)oxy]-
    • 2-Hydroxy-5-methoxy-4-[(3-methylbut-2-en-1-yl)oxy]benzaldehyde
    • Inchi: 1S/C13H16O4/c1-9(2)4-5-17-13-7-11(15)10(8-14)6-12(13)16-3/h4,6-8,15H,5H2,1-3H3
    • InChI Key: RBWQOGKHDNZETL-UHFFFAOYSA-N
    • SMILES: O(C/C=C(\C)/C)C1C=C(C(C=O)=CC=1OC)O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 271
  • XLogP3: 3
  • Topological Polar Surface Area: 55.8
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