Cas no 36294-83-4 (1,3-Dioxane-2-carboxylicacid, 2,5,5-trimethyl-)
36294-83-4 structure
Product Name:1,3-Dioxane-2-carboxylicacid, 2,5,5-trimethyl-
CAS No:36294-83-4
MF:C8H14O4
MW:174.194363117218
CID:322137
PubChem ID:298857
Update Time:2025-04-19
1,3-Dioxane-2-carboxylicacid, 2,5,5-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane-2-carboxylicacid, 2,5,5-trimethyl-
- 2,5,5-trimethyl-1,3-dioxane-2-carboxylic acid
- 2,5,5-trimethyl-[1,3]dioxane-2-carboxylic acid
- 2-carboxy-2,5,5-trimethyl-1,3-dioxane
- AC1L6TR5
- CTK1C6375
- NSC171200
- NSC-171200
- 36294-83-4
- DTXSID60305588
- SCHEMBL15114500
-
- Inchi： 1S/C8H14O4/c1-7(2)4-11-8(3,6(9)10)12-5-7/h4-5H2,1-3H3,(H,9,10)
- InChI Key： MNCPIECMLKYVHX-UHFFFAOYSA-N
- SMILES： O1C(C(=O)O)(C)OCC(C)(C)C1
Computed Properties
- Exact Mass: 174.08922
- Monoisotopic Mass: 174.089209
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 187
- 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
- Topological Polar Surface Area: 55.8
- XLogP3: 0.8
Experimental Properties
- Density: 1.105
- Boiling Point: 264.9°Cat760mmHg
- Flash Point: 102.6°C
- Refractive Index: 1.441
- PSA: 55.76
- LogP: 0.86020
1,3-Dioxane-2-carboxylicacid, 2,5,5-trimethyl- Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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