Cas no 3667-53-6 (Propanedioic acid,2-cyclooctyl-)
3667-53-6 structure
Product Name:Propanedioic acid,2-cyclooctyl-
CAS No:3667-53-6
MF:C11H18O4
MW:214.258224010468
CID:317027
PubChem ID:228240
Update Time:2025-04-19
Propanedioic acid,2-cyclooctyl- Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid,2-cyclooctyl-
- 2-cyclooctylpropanedioic acid
- Cyclooctanemalonic acid
- DTXSID30281249
- NSC20994
- NSC-20994
- 3667-53-6
-
- Inchi： 1S/C11H18O4/c12-10(13)9(11(14)15)8-6-4-2-1-3-5-7-8/h8-9H,1-7H2,(H,12,13)(H,14,15)
- InChI Key： AZLFXTPBJRTHIX-UHFFFAOYSA-N
- SMILES： OC(C(C(=O)O)C1CCCCCCC1)=O
Computed Properties
- Exact Mass: 214.12054
- Monoisotopic Mass: 214.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 215
- 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: 3.3
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Propanedioic acid,2-cyclooctyl- Related Literature
-
1. cycloOctatetraene derivatives. Part VI. Preparation of barbituric acidsW. O. Jones,D. S. Withey J. Chem. Soc. 1954 3490
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