Cas no 41302-40-3 (2-(5-Hydroxy-1,1-dimethylpentyl)propanedioic acid)
41302-40-3 structure
Product Name:2-(5-Hydroxy-1,1-dimethylpentyl)propanedioic acid
CAS No:41302-40-3
MF:C10H18O5
MW:218.246923923492
CID:2634524
PubChem ID:53632633
Update Time:2025-04-21
2-(5-Hydroxy-1,1-dimethylpentyl)propanedioic acid Chemical and Physical Properties
Names and Identifiers
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- SCHEMBL11108473
- 41302-40-3
- DTXSID601231147
- 2-(5-Hydroxy-1,1-dimethylpentyl)propanedioic acid
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- Inchi： 1S/C10H18O5/c1-10(2,5-3-4-6-11)7(8(12)13)9(14)15/h7,11H,3-6H2,1-2H3,(H,12,13)(H,14,15)
- InChI Key： AANIIFFORHGPHE-UHFFFAOYSA-N
- SMILES： OC(C(C(=O)O)C(C)(C)CCCCO)=O
Computed Properties
- Exact Mass: 218.11542367Da
- Monoisotopic Mass: 218.11542367Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 220
- 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: 1.3
- Topological Polar Surface Area: 94.8?2
2-(5-Hydroxy-1,1-dimethylpentyl)propanedioic acid Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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