Cas no 103561-09-7 (Benzoic acid,3-(4-formylphenoxy)-, methyl ester)

Benzoic acid,3-(4-formylphenoxy)-, methyl ester structure
103561-09-7 structure
Product Name:Benzoic acid,3-(4-formylphenoxy)-, methyl ester
CAS No:103561-09-7
MF:C15H12O4
MW:256.253384590149
CID:125729
PubChem ID:16244083
Update Time:2025-04-18

Benzoic acid,3-(4-formylphenoxy)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3-(4-formylphenoxy)-, methyl ester
    • 3-(4-FORMYL-PHENOXY)-BENZOIC ACID METHYL ESTER
    • methyl 3-(4-formylphenoxy)benzoate
    • ACMC-20m6ed
    • AG-D-14555
    • AGN-PC-00VA84
    • CTK4A2190
    • methyl 3-(4-formylphenoxy) benzoate
    • SCHEMBL16880883
    • 103561-09-7
    • A1-30431
    • DTXSID30585633
    • Inchi: 1S/C15H12O4/c1-18-15(17)12-3-2-4-14(9-12)19-13-7-5-11(10-16)6-8-13/h2-10H,1H3
    • InChI Key: YTBAESLKZPSLGU-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(C=O)=CC=1)C1=CC=CC(C(=O)OC)=C1

Computed Properties

  • Exact Mass: 256.07400
  • Monoisotopic Mass: 256.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 307
  • 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: 2.8
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.60000
  • LogP: 3.07800

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