Cas no 76029-20-4 (Butanoic acid, 2-(aminooxy)-4-hydroxy-)
76029-20-4 structure
Product Name:Butanoic acid, 2-(aminooxy)-4-hydroxy-
CAS No:76029-20-4
MF:C4H9NO4
MW:135.118561506271
CID:538542
PubChem ID:53663177
Update Time:2025-04-19
Butanoic acid, 2-(aminooxy)-4-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2-(aminooxy)-4-hydroxy-
- 2-aminooxy-4-hydroxybutanoic acid
- 76029-20-4
- SCHEMBL10858175
- 2-(Aminooxy)-4-hydroxybutanoic acid
- DTXSID70705777
-
- Inchi： 1S/C4H9NO4/c5-9-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)
- InChI Key： AUSSSLJBQOCAAZ-UHFFFAOYSA-N
- SMILES： O(C(C(=O)O)CCO)N
Computed Properties
- Exact Mass: 135.05317
- Monoisotopic Mass: 135.05315777g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 94.6
- 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: -3.6
- Topological Polar Surface Area: 92.8?2
Experimental Properties
- PSA: 92.78
Butanoic acid, 2-(aminooxy)-4-hydroxy- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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