Cas no 81840-52-0 (1,3,5-Triazine-2-carboxylic acid, ethyl ester)

1,3,5-Triazine-2-carboxylic acid, ethyl ester structure
81840-52-0 structure
Product Name:1,3,5-Triazine-2-carboxylic acid, ethyl ester
CAS No:81840-52-0
MF:C6H7N3O2
MW:153.138680696487
CID:1016964
Update Time:2023-08-03

1,3,5-Triazine-2-carboxylic acid, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Triazine-2-carboxylicacid,ethylester(9CI)
    • ethyl 1,3,5-triazine-2-carboxylate
    • 1,3,5-TRIAZINE-2-CARBOXYLIC ACID, ETHYL ESTER
    • 1,3,5-TRIAZINE-2-CARBOXYLIC ACID ETHYL ESTER
    • ethoxycarbonyl-sym-triazine
    • AB66563
    • 1,3,5-Triazine-2-carboxylic acid, ethyl ester
    • Inchi: 1S/C6H7N3O2/c1-2-11-6(10)5-8-3-7-4-9-5/h3-4H,2H2,1H3
    • InChI Key: MYSAUBXZHRJRML-UHFFFAOYSA-N
    • SMILES: O(C(C1N=CN=CN=1)=O)CC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 134
  • XLogP3: -0.5
  • Topological Polar Surface Area: 65
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