Cas no 94513-51-6 ((+)-2-Hexyl-3-methylenebutanedioic acid)
94513-51-6 structure
Product Name:(+)-2-Hexyl-3-methylenebutanedioic acid
CAS No:94513-51-6
MF:C11H18O4
MW:214.258224010468
CID:2020859
PubChem ID:11447214
Update Time:2025-04-21
(+)-2-Hexyl-3-methylenebutanedioic acid Chemical and Physical Properties
Names and Identifiers
-
- (+)-2-Hexyl-3-methylenebutanedioic acid
- MEGxm0_000045
- HMS2268D03
- SMR000440626
- CHEBI:188754
- BRD-A85835458-001-01-9
- AKOS040734052
- BDBM50475573
- Hexylitaconic Acid
- CHEMBL199341
- 94513-51-6
- MLS000876945
- BS-1561
- 2-hexyl-3-methylidenebutanedioic acid
- 2-methylene-3-hexyl-butanedioic acid
- ACon0_000685
- (-)-Hexylitaconic acid
- ACon1_001940
- SCHEMBL9231241
- 2-Hexyl-3-methylenesuccinic acid
- NCGC00179983-01
- 2-methylene-3-hexylbutanedioic acid
- HEXYLITACONate
- (-)-Hexylitaconate
-
- Inchi： 1S/C11H18O4/c1-3-4-5-6-7-9(11(14)15)8(2)10(12)13/h9H,2-7H2,1H3,(H,12,13)(H,14,15)
- InChI Key： HKMDCNSGDQBQLI-UHFFFAOYSA-N
- SMILES： OC(C(C(=C)C(=O)O)CCCCCC)=O
Computed Properties
- Exact Mass: 214.12050905g/mol
- Monoisotopic Mass: 214.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 245
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 74.6?2
(+)-2-Hexyl-3-methylenebutanedioic acid Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
94513-51-6 ((+)-2-Hexyl-3-methylenebutanedioic acid) Related Products
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