Cas no 16507-07-6 (Methyl 3-methyl-4-nitropentanoate)

Methyl 3-methyl-4-nitropentanoate structure
16507-07-6 structure
Product Name:Methyl 3-methyl-4-nitropentanoate
CAS No:16507-07-6
MF:C7H13NO4
MW:175.182422399521
CID:2781022
Update Time:2023-08-07

Methyl 3-methyl-4-nitropentanoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-methyl-4-nitropentanoate
    • 3-Methyl-4-nitropentanoic acid methyl ester
    • Inchi: 1S/C7H13NO4/c1-5(4-7(9)12-3)6(2)8(10)11/h5-6H,4H2,1-3H3
    • InChI Key: KSWYRULDGQVGPJ-UHFFFAOYSA-N
    • SMILES: O(C)C(CC(C)C(C)[N+](=O)[O-])=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 175
  • XLogP3: 1
  • Topological Polar Surface Area: 72.1
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