Cas no 93858-78-7 (1,2,4-Butanetricarboxylicacid, 2-phosphono-, potassium salt (1:?))
93858-78-7 structure
Product Name:1,2,4-Butanetricarboxylicacid, 2-phosphono-, potassium salt (1:?)
CAS No:93858-78-7
MF:C7H10KO9P
MW:308.2209649086
CID:810707
PubChem ID:44146417
Update Time:2025-04-19
1,2,4-Butanetricarboxylicacid, 2-phosphono-, potassium salt (1:?) Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Butanetricarboxylicacid, 2-phosphono-, potassium salt (1:?)
- 2-phosphonobutane-1,2,4-tricarboxylic acid, potassium salt
- potassium,hydroxy(1,2,4-tricarboxybutan-2-yl)phosphinate
- 93858-78-7
- 1,2,4-Butanetricarboxylic acid, 2-phosphono-, potassium salt
- EINECS 299-311-4
-
- Inchi： 1S/C7H11O9P.K/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16;/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16);/q;+1/p-1
- InChI Key： YCDQEEDIUVDYOZ-UHFFFAOYSA-M
- SMILES： [K+].P(C(C(=O)O)(CC(=O)O)CCC(=O)O)(=O)(O)[O-]
Computed Properties
- Exact Mass: 307.97
- Monoisotopic Mass: 307.97
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 394
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 172A^2
Experimental Properties
- PSA: 182.07000
- LogP: -2.00770
1,2,4-Butanetricarboxylicacid, 2-phosphono-, potassium salt (1:?) Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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