Cas no 62821-29-8 (Spiro[bicyclo[2.2.1]heptane-7,1'-cyclobutane]-3',3'-dicarboxylic acid)

Spiro[bicyclo[2.2.1]heptane-7,1'-cyclobutane]-3',3'-dicarboxylic acid structure
62821-29-8 structure
Product Name:Spiro[bicyclo[2.2.1]heptane-7,1'-cyclobutane]-3',3'-dicarboxylic acid
CAS No:62821-29-8
MF:C12H16O4
MW:224.253044128418
CID:430434
PubChem ID:71382462
Update Time:2025-04-19

Spiro[bicyclo[2.2.1]heptane-7,1'-cyclobutane]-3',3'-dicarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Spiro[bicyclo[2.2.1]heptane-7,1'-cyclobutane]-3',3'-dicarboxylic acid
    • spiro[bicyclo[2.2.1]heptane-7,3'-cyclobutane]-1',1'-dicarboxylic acid
    • 62821-29-8
    • DTXSID20804840
    • Inchi: 1S/C12H16O4/c13-9(14)12(10(15)16)5-11(6-12)7-1-2-8(11)4-3-7/h7-8H,1-6H2,(H,13,14)(H,15,16)
    • InChI Key: SFXBFUPTUOVUAH-UHFFFAOYSA-N
    • SMILES: OC(C1(C(=O)O)CC2(C1)C1CCC2CC1)=O

Computed Properties

  • Exact Mass: 224.10488
  • Monoisotopic Mass: 224.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 329
  • 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: 2.2
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.6
Recommended suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
PRIBOLAB PTE.LTD
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.