Cas no 51756-10-6 (methyl 2-acetyl-3-methylbutanoate)

methyl 2-acetyl-3-methylbutanoate structure
51756-10-6 structure
Product Name:methyl 2-acetyl-3-methylbutanoate
CAS No:51756-10-6
MF:C8H14O3
MW:158.194962978363
MDL:MFCD03424750
CID:1573791
PubChem ID:538774
Update Time:2025-04-21

methyl 2-acetyl-3-methylbutanoate Chemical and Physical Properties

Names and Identifiers

    • methyl 2-acetyl-3-methylbutanoate
    • Butanoic acid, 2-acetyl-3-methyl-, methyl ester
    • 2-ACETYL-3-METHYL-BUTYRIC ACID METHYL ESTER
    • Methyl 2-isopropyl-3-oxobutanoate
    • DB-370753
    • 51756-10-6
    • MFCD03424750
    • AKOS010952370
    • Methyl2-acetyl-3-methylbutanoate
    • LS-09474
    • CS-0331905
    • Methyl 2-acetyl-3-methylbutanoate #
    • ALBB-027486
    • SCHEMBL856080
    • MDL： MFCD03424750
    • Inchi： 1S/C8H14O3/c1-5(2)7(6(3)9)8(10)11-4/h5,7H,1-4H3
    • InChI Key： DWMUXGFADNZQQV-UHFFFAOYSA-N
    • SMILES： O(C)C(C(C(C)=O)C(C)C)=O

Computed Properties

  • Exact Mass: 158.09432
  • Monoisotopic Mass: 158.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 161
  • 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: 1.3
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37

methyl 2-acetyl-3-methylbutanoate Pricemore >>

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