Cas no 824985-33-3 (INDEX NAME NOT YET ASSIGNED)
INDEX NAME NOT YET ASSIGNED structure
Product Name:INDEX NAME NOT YET ASSIGNED
CAS No:824985-33-3
MF:C9H14O6
MW:218.203863620758
CID:987869
PubChem ID:57353780
Update Time:2025-04-20
INDEX NAME NOT YET ASSIGNED Chemical and Physical Properties
Names and Identifiers
-
- INDEX NAME NOT YET ASSIGNED
- (4S,5S)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
- (4S,5S)-5-(Ethoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
- SCHEMBL21001793
- DTXSID70722601
- 824985-33-3
-
- Inchi： 1S/C9H14O6/c1-4-13-8(12)6-5(7(10)11)14-9(2,3)15-6/h5-6H,4H2,1-3H3,(H,10,11)/t5-,6-/m0/s1
- InChI Key： CKZCYKLWSCUMOQ-WDSKDSINSA-N
- SMILES： O1[C@H](C(=O)OCC)[C@@H](C(=O)O)OC1(C)C
Computed Properties
- Exact Mass: 218.07903816g/mol
- Monoisotopic Mass: 218.07903816g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 272
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 82.1?2
INDEX NAME NOT YET ASSIGNED Related Literature
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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