Cas no 343867-62-9 (Benzaldehyde,3-amino-5-hydroxy-4-methoxy-)

Benzaldehyde,3-amino-5-hydroxy-4-methoxy- structure
343867-62-9 structure
Product Name:Benzaldehyde,3-amino-5-hydroxy-4-methoxy-
CAS No:343867-62-9
MF:C8H9NO3
MW:167.161962270737
CID:302376
PubChem ID:12927987
Update Time:2025-04-19

Benzaldehyde,3-amino-5-hydroxy-4-methoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde,3-amino-5-hydroxy-4-methoxy-
    • Benzaldehyde, 3-amino-5-hydroxy-4-methoxy- (9CI)
    • 3-amino-5-hydroxy-4-methoxybenzaldehyde
    • 343867-62-9
    • DTXSID80513188
    • Inchi: 1S/C8H9NO3/c1-12-8-6(9)2-5(4-10)3-7(8)11/h2-4,11H,9H2,1H3
    • InChI Key: PFVGASRKDVLCKP-UHFFFAOYSA-N
    • SMILES: O(C)C1C(=CC(C=O)=CC=1N)O

Computed Properties

  • Exact Mass: 167.05827
  • Monoisotopic Mass: 167.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 162
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 72.6?2

Experimental Properties

  • PSA: 72.55
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