Cas no 90183-33-8 (1,3-Benzenedicarboxylic acid, 4-(2-propenyloxy)-, 3-methyl ester)

1,3-Benzenedicarboxylic acid, 4-(2-propenyloxy)-, 3-methyl ester structure
90183-33-8 structure
Product Name:1,3-Benzenedicarboxylic acid, 4-(2-propenyloxy)-, 3-methyl ester
CAS No:90183-33-8
MF:C12H11O5
MW:235.212743997574
CID:792210
PubChem ID:71429806
Update Time:2025-04-19

1,3-Benzenedicarboxylic acid, 4-(2-propenyloxy)-, 3-methyl ester Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenedicarboxylic acid, 4-(2-propenyloxy)-, 3-methyl ester
    • 3-methoxycarbonyl-4-prop-2-enoxybenzoate
    • 90183-33-8
    • DTXSID70848471
    • 3-(Methoxycarbonyl)-4-[(prop-2-en-1-yl)oxy]benzoate
    • Inchi: 1S/C12H12O5/c1-3-6-17-10-5-4-8(11(13)14)7-9(10)12(15)16-2/h3-5,7H,1,6H2,2H3,(H,13,14)/p-1
    • InChI Key: OCDLIZZAIDPSCK-UHFFFAOYSA-M
    • SMILES: O(CC=C)C1C=CC(C(=O)[O-])=CC=1C(=O)OC

Computed Properties

  • Exact Mass: 235.06064845g/mol
  • Monoisotopic Mass: 235.06064845g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 294
  • 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: 2.6
  • Topological Polar Surface Area: 75.7?2
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