Cas no 96619-87-3 (Butanoic acid,2-methoxy-1-methyl-2-oxoethyl ester)

Butanoic acid,2-methoxy-1-methyl-2-oxoethyl ester structure
96619-87-3 structure
Product Name:Butanoic acid,2-methoxy-1-methyl-2-oxoethyl ester
CAS No:96619-87-3
MF:C8H14O4
MW:174.194363117218
CID:814906
PubChem ID:16206158
Update Time:2025-04-19

Butanoic acid,2-methoxy-1-methyl-2-oxoethyl ester Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,2-methoxy-1-methyl-2-oxoethyl ester
    • (1-methoxy-1-oxopropan-2-yl) butanoate
    • 2-methoxy-1-methyl-2-oxoethyl butyrate
    • EINECS 306-199-3
    • SCHEMBL24220782
    • NS00066231
    • 96619-87-3
    • 1-METHOXY-1-OXOPROPAN-2-YL BUTANOATE
    • DTXSID40914415
    • Inchi: 1S/C8H14O4/c1-4-5-7(9)12-6(2)8(10)11-3/h6H,4-5H2,1-3H3
    • InChI Key: YKJAHVZTCFGXAH-UHFFFAOYSA-N
    • SMILES: O(C(CCC)=O)C(C(=O)OC)C

Computed Properties

  • Exact Mass: 174.08920892g/mol
  • Monoisotopic Mass: 174.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 164
  • 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: 52.6?2
Recommended suppliers
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent