Cas no 13122-71-9 (butaneperoxoic acid)
butaneperoxoic acid structure
Product Name:butaneperoxoic acid
CAS No:13122-71-9
MF:C4H8O3
MW:104.104521751404
CID:1228207
PubChem ID:9812761
Update Time:2025-04-20
butaneperoxoic acid Chemical and Physical Properties
Names and Identifiers
-
- butaneperoxoic acid
- Propanecarboperoxoic acid
- LogP
- n-butyric acid hydroperoxide
- PEROXYBUTYRICACID
- Perbutyric acid
- DTXSID10902445
- NoName_1688
- hydroxyl butyrate
- LBAYFEDWGHXMSM-UHFFFAOYSA-N
- SCHEMBL118490
- 13122-71-9
- peroxybutanoic acid
-
- Inchi： 1S/C4H8O3/c1-2-3-4(5)7-6/h6H,2-3H2,1H3
- InChI Key： LBAYFEDWGHXMSM-UHFFFAOYSA-N
- SMILES： O(C(CCC)=O)O
Computed Properties
- Exact Mass: 104.04734
- Monoisotopic Mass: 104.047344113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 60
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
butaneperoxoic acid Related Literature
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Peroxycarboxylic acids
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Peroxycarboxylic acids and derivatives Peroxycarboxylic acids
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