Cas no 62662-68-4 (2,2-dichloro-1-adamantancarboxylic acid)
62662-68-4 structure
Product Name:2,2-dichloro-1-adamantancarboxylic acid
CAS No:62662-68-4
MF:C11H14Cl2O2
MW:249.133661746979
CID:2101976
PubChem ID:85886856
Update Time:2025-04-21
2,2-dichloro-1-adamantancarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 2,2-dichloro-1-adamantancarboxylic acid
- 2,2-Dichloro-adamantane-1-carboxylic acid
- 2,2-DICHLOROADAMANTANE-1-CARBOXYLIC ACID
- 62662-68-4
-
- Inchi： 1S/C11H14Cl2O2/c12-11(13)8-2-6-1-7(3-8)5-10(11,4-6)9(14)15/h6-8H,1-5H2,(H,14,15)
- InChI Key： HODYQNUUJXHMOR-UHFFFAOYSA-N
- SMILES： ClC1(C2CC3CC(C2)CC1(C(=O)O)C3)Cl
Computed Properties
- Exact Mass: 248.0370851Da
- Monoisotopic Mass: 248.0370851Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 313
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 37.3?2
2,2-dichloro-1-adamantancarboxylic acid Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
Vanessa dos Santos Pereira Montera,Camila Aparecida Borges Food Funct., 2021,12, 7699-7708
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