Cas no 4360-86-5 (Hexyl(methyl)propanedioic acid)
4360-86-5 structure
Product Name:Hexyl(methyl)propanedioic acid
CAS No:4360-86-5
MF:C10H18O4
MW:202.247523784637
CID:2666135
PubChem ID:576365
Update Time:2025-04-21
Hexyl(methyl)propanedioic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-hexyl-2-methylpropanedioic acid
- Hexylmethylmalonic acid
- DTXSID30341872
- AYICGNRTLKPWKZ-UHFFFAOYSA-N
- 4360-86-5
- SCHEMBL10339977
- 2-Hexyl-2-methylmalonic acid #
- Malonic acid, 2-hexyl-2-methyl-
- DTXCID90292952
- Hexyl(methyl)propanedioic acid
-
- Inchi： 1S/C10H18O4/c1-3-4-5-6-7-10(2,8(11)12)9(13)14/h3-7H2,1-2H3,(H,11,12)(H,13,14)
- InChI Key： AYICGNRTLKPWKZ-UHFFFAOYSA-N
- SMILES： OC(C(C(=O)O)(C)CCCCCC)=O
Computed Properties
- Exact Mass: 202.12050905Da
- Monoisotopic Mass: 202.12050905Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 196
- 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: 2.9
- Topological Polar Surface Area: 74.6?2
Hexyl(methyl)propanedioic acid Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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