Cas no 6316-54-7 (Benzoic acid,4-methoxy-, phenylmethyl ester)

Benzoic acid,4-methoxy-, phenylmethyl ester structure
6316-54-7 structure
Product Name:Benzoic acid,4-methoxy-, phenylmethyl ester
CAS No:6316-54-7
MF:C15H14O3
MW:242.269864559174
CID:511486
PubChem ID:80589
Update Time:2025-04-19

Benzoic acid,4-methoxy-, phenylmethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4-methoxy-, phenylmethyl ester
    • benzyl 4-methoxybenzoate
    • benzyl p-anisate
    • 4-MeOC6H4CO2Bn
    • 4-Methoxy-benzoesaeure-benzylester
    • 4-methoxy-benzoic acid benzyl ester
    • 4-Methoxybenzoic acid benzyl ester
    • 4-Methoxybenzoic acid phenylmethyl ester
    • benzyl 4-methoxylbenzoate
    • benzyl p-methoxybenzoate
    • SCHEMBL2704247
    • DTXSID20979143
    • 4-Methoxybenzoic acid, benzyl ester
    • benzyl-4-methoxybenzoate
    • Benzyl 4-methoxybenzoate #
    • NSC22554
    • NSC-22554
    • AKOS003442195
    • Benzoic acid, 4-methoxy-, phenylmethyl ester
    • 6316-54-7
    • Benzyl anisate
    • 65515-53-9
    • NS00043592
    • EINECS 265-804-8
    • AI3-30648
    • NSC 22554
    • SWWYHGZVYNAAHI-UHFFFAOYSA-N
    • EINECS 228-651-8
    • Inchi: 1S/C15H14O3/c1-17-14-9-7-13(8-10-14)15(16)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
    • InChI Key: SWWYHGZVYNAAHI-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC(=CC=1)OC)=O)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 242.09432
  • Monoisotopic Mass: 242.094294
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 251
  • 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: 3.9
  • Topological Polar Surface Area: 35.5

Experimental Properties

  • Density: 1.142
  • Boiling Point: 375.7°C at 760 mmHg
  • Flash Point: 157.7°C
  • Refractive Index: 1.566
  • PSA: 35.53
  • LogP: 3.05220

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