Cas no 63257-36-3 (1,2,4-Butanetricarboxylic acid, 1-phosphono-)
63257-36-3 structure
Product Name:1,2,4-Butanetricarboxylic acid, 1-phosphono-
CAS No:63257-36-3
MF:C7H11O9P
MW:270.130604028702
CID:390285
PubChem ID:18548154
Update Time:2025-04-19
1,2,4-Butanetricarboxylic acid, 1-phosphono- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Butanetricarboxylic acid, 1-phosphono-
- 1-phosphonobutane-1,2,4-tricarboxylic acid
- 63257-36-3
- phosphono-butane-1,2,4-tricarboxylic acid
- SCHEMBL22985
- DTXSID40595006
-
- Inchi： 1S/C7H11O9P/c8-4(9)2-1-3(6(10)11)5(7(12)13)17(14,15)16/h3,5H,1-2H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16)
- InChI Key： GPXCJKUXBIGASD-UHFFFAOYSA-N
- SMILES： P(C(C(=O)O)C(C(=O)O)CCC(=O)O)(=O)(O)O
Computed Properties
- Exact Mass: 270.01406892g/mol
- Monoisotopic Mass: 270.01406892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 370
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.6
- Topological Polar Surface Area: 169?2
1,2,4-Butanetricarboxylic acid, 1-phosphono- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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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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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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