Cas no 56384-35-1 (2-Ethoxycarbonylheptanoic acid)
56384-35-1 structure
Product Name:2-Ethoxycarbonylheptanoic acid
CAS No:56384-35-1
MF:C10H18O4
MW:202.247523784637
CID:2112317
Update Time:2023-08-04
2-Ethoxycarbonylheptanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(ethoxycarbonyl)heptanoic acid
- 2-Ethoxycarbonylheptanoic acid
-
- Inchi： 1S/C10H18O4/c1-3-5-6-7-8(9(11)12)10(13)14-4-2/h8H,3-7H2,1-2H3,(H,11,12)
- InChI Key： ZQTSFJWXIUQYHL-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)O)CCCCC)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 189
- Topological Polar Surface Area: 63.6
2-Ethoxycarbonylheptanoic acid Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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