Cas no 1592-47-8 (Benzoic acid,3-methoxy-4-(phenylmethoxy)-, anhydride with 3-methoxy-4-(phenylmethoxy)benzoicacid)

Benzoic acid,3-methoxy-4-(phenylmethoxy)-, anhydride with 3-methoxy-4-(phenylmethoxy)benzoicacid structure
1592-47-8 structure
Product Name:Benzoic acid,3-methoxy-4-(phenylmethoxy)-, anhydride with 3-methoxy-4-(phenylmethoxy)benzoicacid
CAS No:1592-47-8
MF:C30H26O7
MW:498.523249149323
CID:173481
PubChem ID:226370
Update Time:2025-04-19

Benzoic acid,3-methoxy-4-(phenylmethoxy)-, anhydride with 3-methoxy-4-(phenylmethoxy)benzoicacid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3-methoxy-4-(phenylmethoxy)-, anhydride with 3-methoxy-4-(phenylmethoxy)benzoicacid
    • (3-methoxy-4-phenylmethoxybenzoyl) 3-methoxy-4-phenylmethoxybenzoate
    • DTXSID20280423
    • NSC16756
    • 1592-47-8
    • SCHEMBL11286951
    • NSC-16756
    • 4-(benzyloxy)-3-methoxybenzoic anhydride
    • Inchi: 1S/C30H26O7/c1-33-27-17-23(13-15-25(27)35-19-21-9-5-3-6-10-21)29(31)37-30(32)24-14-16-26(28(18-24)34-2)36-20-22-11-7-4-8-12-22/h3-18H,19-20H2,1-2H3
    • InChI Key: ZSKPRSCIVQDZDS-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1C=CC(C(=O)OC(C2C=CC(=C(C=2)OC)OCC2C=CC=CC=2)=O)=CC=1OC

Computed Properties

  • Exact Mass: 498.16788
  • Monoisotopic Mass: 498.168
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 12
  • Complexity: 642
  • 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: 6.1
  • Topological Polar Surface Area: 80.3?2

Experimental Properties

  • Density: 1.233
  • Boiling Point: 676.3°Cat760mmHg
  • Flash Point: 286.5°C
  • Refractive Index: 1.602
  • PSA: 80.29
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