Cas no 3562-74-1 (1,2,4-Butanetricarboxylicacid, 2-hydroxy-)
3562-74-1 structure
Product Name:1,2,4-Butanetricarboxylicacid, 2-hydroxy-
1,2,4-Butanetricarboxylicacid, 2-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Butanetricarboxylicacid, 2-hydroxy-
- 2-hydroxybutane-1,2,4-tricarboxylic acid
- CHEBI:17852
- 3562-74-1
- DTXSID10331413
- (+/-)-HOMOCITRIC ACID
- 1,2,4-Butanetricarboxylic acid, 2-hydroxy-
- 5883XD8HH4
- NS00126640
- UNII-5883XD8HH4
- 2-hydroxy-1,2,4-butanetricarboxylic acid
- HOMOCITRIC ACID, (+/-)-
- SCHEMBL111251
- Homocitric acid
- Q10860888
-
- Inchi： 1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)
- InChI Key： XKJVEVRQMLKSMO-UHFFFAOYSA-N
- SMILES： OC(C(=O)O)(CC(=O)O)CCC(=O)O
Computed Properties
- Exact Mass: 206.0426
- Monoisotopic Mass: 206.042653
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 259
- 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
- Topological Polar Surface Area: 132
- XLogP3: -1.7
Experimental Properties
- Density: 1.642
- Boiling Point: 411.3°Cat760mmHg
- Flash Point: 216.7°C
- Refractive Index: 1.561
- PSA: 132.13
1,2,4-Butanetricarboxylicacid, 2-hydroxy- Related Literature
-
1. Dalton perspectives. Metals in the nitrogenasesRobert R. Eady,G. Jeffery Leigh J. Chem. Soc. Dalton Trans. 1994 2739
3562-74-1 (1,2,4-Butanetricarboxylicacid, 2-hydroxy-) Related Products
- 5949-29-1(Citric acid monohydrate)
- 6100-05-6(Potassium citrate monohydrate)
- 10402-15-0(Copper Citrate)
- 866-83-1(Potassium Citrate Monobasic)
- 77-92-9(Citric acid)
- 77-95-2(D(-)-Quinic Acid)
- 3012-65-5(Diammonium hydrogen citrate)
- 1123-28-0(1-Hydroxycyclohexanecarboxylic acid)
- 6205-14-7(Hydroxycitric Acid (Technical Grade))
- 7778-49-6(Potassium citrate)
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