Cas no 5353-62-8 (3-hydroxy-5-methyladamantane-1-carboxylic Acid)
5353-62-8 structure
Product Name:3-hydroxy-5-methyladamantane-1-carboxylic Acid
CAS No:5353-62-8
MF:C12H18O3
MW:210.269524097443
CID:1582813
PubChem ID:2843159
Update Time:2025-04-21
3-hydroxy-5-methyladamantane-1-carboxylic Acid Chemical and Physical Properties
Names and Identifiers
-
- 3-hydroxy-5-methyladamantane-1-carboxylic Acid
- CBMicro_020232
- AC1MDUK3
- AGN-PC-01NPDE
- SureCN5608428
- Oprea1_461941
- CCG-7126
- AKOS004122831
- BIM-0020430.P001
- 5-hydroxy-3-methyl-adamantane-1-carboxylic acid
- CBMicro_020232; AC1MDUK3; AGN-PC-01NPDE; SureCN5608428; Oprea1_461941; CCG-7126; AKOS004122831; BIM-0020430.P001; 5-hydroxy-3-methyl-adamantane-1-carboxylic acid;
- SR-01000206572
- 5353-62-8
- SR-01000206572-1
- DTXSID20385740
- 3-hydroxy-5-methyl-1-adamantanecarboxylic acid
- SCHEMBL5608428
- 3-Hydroxy-5-methyltricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid
-
- Inchi: 1S/C12H18O3/c1-10-2-8-3-11(5-10,9(13)14)7-12(15,4-8)6-10/h8,15H,2-7H2,1H3,(H,13,14)
- InChI Key: LSSPUDFIBQOQLZ-UHFFFAOYSA-N
- SMILES: OC12CC3CC(C(=O)O)(C1)CC(C)(C3)C2
Computed Properties
- Exact Mass: 210.12564
- Monoisotopic Mass: 210.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 340
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- Density: 1.374
- Boiling Point: 350.1°C at 760 mmHg
- Flash Point: 179.7°C
- Refractive Index: 1.628
- PSA: 57.53
3-hydroxy-5-methyladamantane-1-carboxylic Acid Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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