Cas no 72845-16-0 (Butanedioic acid, 2-hydroxy-2-(2-hydroxyethyl)-)
72845-16-0 structure
Product Name:Butanedioic acid, 2-hydroxy-2-(2-hydroxyethyl)-
CAS No:72845-16-0
MF:C6H10O6
MW:178.140002727509
CID:543374
PubChem ID:54106953
Update Time:2025-04-19
Butanedioic acid, 2-hydroxy-2-(2-hydroxyethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, 2-hydroxy-2-(2-hydroxyethyl)-
- 2-hydroxy-2-(2-hydroxyethyl)butanedioic acid
- SCHEMBL18283303
- 72845-16-0
- DTXSID70709073
-
- Inchi： 1S/C6H10O6/c7-2-1-6(12,5(10)11)3-4(8)9/h7,12H,1-3H2,(H,8,9)(H,10,11)
- InChI Key： NEKCGUDYCRXAAK-UHFFFAOYSA-N
- SMILES： OC(C(=O)O)(CC(=O)O)CCO
Computed Properties
- Exact Mass: 178.0477
- Monoisotopic Mass: 178.04773803g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 189
- 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
- XLogP3: -1.8
- Topological Polar Surface Area: 115?2
Experimental Properties
- PSA: 115.06
Butanedioic acid, 2-hydroxy-2-(2-hydroxyethyl)- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
72845-16-0 (Butanedioic acid, 2-hydroxy-2-(2-hydroxyethyl)-) Related Products
- 5949-29-1(Citric acid monohydrate)
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- 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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