Cas no 14835-47-3 (1,2,4-Butanetriol, triacetate)
1,2,4-Butanetriol, triacetate structure
Product Name:1,2,4-Butanetriol, triacetate
CAS No:14835-47-3
MF:C10H16O6
MW:232.230443954468
CID:1319723
PubChem ID:57345959
Update Time:2025-04-20
1,2,4-Butanetriol, triacetate Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Butanetriol, triacetate
- acetic acid,butane-1,2,4-triol
- Acetic acid--butane-1,2,4-triol (3/1)
- 14835-47-3
- DTXSID10721032
-
- Inchi： 1S/C10H16O6/c1-7(11)14-5-4-10(16-9(3)13)6-15-8(2)12/h10H,4-6H2,1-3H3
- InChI Key： RPOOYSKKKVGNAP-UHFFFAOYSA-N
- SMILES： CC(OCCC(OC(=O)C)COC(=O)C)=O
Computed Properties
- Exact Mass: 232.09468
- Monoisotopic Mass: 286.12638228g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 68.9
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 173?2
Experimental Properties
- PSA: 78.9
1,2,4-Butanetriol, triacetate Related Literature
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
14835-47-3 (1,2,4-Butanetriol, triacetate) Related Products
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