Cas no 61440-98-0 ([1,1'-Biphenyl]-2-carboxylic acid, 2'-(hydroxymethyl)-4',5'-dimethoxy-)

[1,1'-Biphenyl]-2-carboxylic acid, 2'-(hydroxymethyl)-4',5'-dimethoxy- structure
61440-98-0 structure
Product Name:[1,1'-Biphenyl]-2-carboxylic acid, 2'-(hydroxymethyl)-4',5'-dimethoxy-
CAS No:61440-98-0
MF:C16H16O5
MW:288.295245170593
CID:479341
PubChem ID:71395886
Update Time:2025-04-19

[1,1'-Biphenyl]-2-carboxylic acid, 2'-(hydroxymethyl)-4',5'-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-2-carboxylic acid, 2'-(hydroxymethyl)-4',5'-dimethoxy-
    • 2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]benzoic acid
    • 2'-(Hydroxymethyl)-4',5'-dimethoxy[1,1'-biphenyl]-2-carboxylic acid
    • DTXSID10817484
    • 61440-98-0
    • Inchi： 1S/C16H16O5/c1-20-14-7-10(9-17)13(8-15(14)21-2)11-5-3-4-6-12(11)16(18)19/h3-8,17H,9H2,1-2H3,(H,18,19)
    • InChI Key： XMTNVEJZTIBLRP-UHFFFAOYSA-N
    • SMILES： O(C)C1C(=CC(CO)=C(C=1)C1C=CC=CC=1C(=O)O)OC

Computed Properties

  • Exact Mass: 288.09978
  • Monoisotopic Mass: 288.09977361g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 346
  • 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: 2.1
  • Topological Polar Surface Area: 76?2

Experimental Properties

  • PSA: 75.99

[1,1'-Biphenyl]-2-carboxylic acid, 2'-(hydroxymethyl)-4',5'-dimethoxy- Related Literature

61440-98-0 ([1,1'-Biphenyl]-2-carboxylic acid, 2'-(hydroxymethyl)-4',5'-dimethoxy-) Related Products

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