Cas no 103495-93-8 (3-methyl-2-(methyl carboxy)butanoic acid)

3-methyl-2-(methyl carboxy)butanoic acid structure
103495-93-8 structure
Product Name:3-methyl-2-(methyl carboxy)butanoic acid
CAS No:103495-93-8
MF:C7H12O4
MW:160.167782783508
MDL:MFCD20639017
CID:125697
PubChem ID:13574049
Update Time:2025-04-18

3-methyl-2-(methyl carboxy)butanoic acid Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid,2-(1-methylethyl)-, 1-methyl ester
    • 2-methoxycarbonyl-3-methylbutanoic acid
    • Propanedioic acid, (1-methylethyl)-, monomethyl ester
    • isopropyl-malonic acid monomethyl ester
    • Isopropylmalonsaeure-monomethylester
    • PRO031
    • 3-methyl-2-(methyl carboxy)butanoic acid
    • Propanedioic acid,(1-methylethyl)-,monomethyl ester
    • DTXSID00544171
    • 2-(METHOXYCARBONYL)-3-METHYLBUTANOIC ACID
    • FT-0716515
    • SCHEMBL6446523
    • 103495-93-8
    • EN300-2099767
    • MDL： MFCD20639017
    • Inchi： 1S/C7H12O4/c1-4(2)5(6(8)9)7(10)11-3/h4-5H,1-3H3,(H,8,9)
    • InChI Key： MUYBFZWJFOROCA-UHFFFAOYSA-N
    • SMILES： O(C)C(C(C(=O)O)C(C)C)=O

Computed Properties

  • Exact Mass: 160.07400
  • Monoisotopic Mass: 160.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 162
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • PSA: 63.60000
  • LogP: 0.51620

3-methyl-2-(methyl carboxy)butanoic acid Pricemore >>

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