Cas no 101396-13-8 (1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,3-bis(1-methylethyl) ester)

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,3-bis(1-methylethyl) ester structure
101396-13-8 structure
Product Name:1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,3-bis(1-methylethyl) ester
CAS No:101396-13-8
MF:C12H20O7
MW:276.283004760742
CID:97588
PubChem ID:57008688
Update Time:2025-04-18

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,3-bis(1-methylethyl) ester Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,3-bis(1-methylethyl) ester
    • 2-hydroxy-4-oxo-2-(2-oxo-2-propan-2-yloxyethyl)-4-propan-2-yloxybutanoate
    • UNII-H613NU27AR
    • G53U5N730K
    • 100328-53-8
    • UNII-G53U5N730K
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, bis(1-methylethyl) ester
    • 1,3-Diisopropyl citrate
    • 101396-13-8
    • SCHEMBL5485284
    • Diisopropyl citrate
    • H613NU27AR
    • Q27278766
    • Inchi： 1S/C12H20O7/c1-7(2)18-9(13)5-12(17,11(15)16)6-10(14)19-8(3)4/h7-8,17H,5-6H2,1-4H3,(H,15,16)
    • InChI Key： MHUXGBAKULUKLC-UHFFFAOYSA-N
    • SMILES： OC(C(=O)O)(CC(=O)OC(C)C)CC(=O)OC(C)C

Computed Properties

  • Exact Mass: 276.1209
  • Monoisotopic Mass: 276.12090297g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 9
  • Complexity: 322
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 110?2

Experimental Properties

  • PSA: 112.96

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,3-bis(1-methylethyl) ester Related Literature

101396-13-8 (1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,3-bis(1-methylethyl) ester) Related Products

Recommended suppliers
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
煙臺朗裕新材料科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk