Cas no 16838-81-6 (Hexanedioic acid, 3,3-dimethyl-)
16838-81-6 structure
Product Name:Hexanedioic acid, 3,3-dimethyl-
CAS No:16838-81-6
MF:C8H14O4
MW:174.194363117218
CID:1355854
PubChem ID:53874426
Update Time:2025-04-20
Hexanedioic acid, 3,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Hexanedioic acid, 3,3-dimethyl-
- 3,3-dimethylhexanedioic acid
- DB-193508
- SCHEMBL2203104
- 16838-81-6
- AKOS023558435
- DTXSID50707315
-
- Inchi： 1S/C8H14O4/c1-8(2,5-7(11)12)4-3-6(9)10/h3-5H2,1-2H3,(H,9,10)(H,11,12)
- InChI Key： HFJYFTGXXSIVNL-UHFFFAOYSA-N
- SMILES： OC(CC(C)(C)CCC(=O)O)=O
Computed Properties
- Exact Mass: 174.08922
- Monoisotopic Mass: 174.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 184
- 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: 0.8
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Hexanedioic acid, 3,3-dimethyl- Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
16838-81-6 (Hexanedioic acid, 3,3-dimethyl-) Related Products
- 1338-24-5(Naphthenic acids)
- 626-51-7(3-Methylglutaric acid)
- 140-77-2(3-Cyclopentylpropionic acid)
- 646-07-1(4-Methylpentanoic acid)
- 1730-92-3((3S)-3-methylpentanoic acid)
- 1070-83-3(3,3-Dimethylbutyric acid)
- 4355-11-7(1,1-Cyclohexanediacetic Acid)
- 3058-01-3(3-Methyladipic acid)
- 681-57-2(2,2-Dimethylglutaric acid)
- 105-43-1(3-methylpentanoic acid)
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