Cas no 17756-65-9 (Butanoic acid, 4-(acetylamino)-, monosodium salt)
17756-65-9 structure
Product Name:Butanoic acid, 4-(acetylamino)-, monosodium salt
CAS No:17756-65-9
MF:C6H12NNaO3
MW:169.154152870178
CID:1370142
Update Time:2024-08-17
Butanoic acid, 4-(acetylamino)-, monosodium salt Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 4-(acetylamino)-, monosodium salt
- Butanoic acid, 4-(acetylamino)-, sodium salt (1:1)
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- Inchi： 1S/C6H11NO3.Na.H/c1-5(8)7-4-2-3-6(9)10;;/h2-4H2,1H3,(H,7,8)(H,9,10);;
- InChI Key： FSYIHLRUYIIKGI-UHFFFAOYSA-N
- SMILES： C(CC(=O)O)CNC(=O)C.[NaH]
Computed Properties
- Exact Mass: 57.9587
- Monoisotopic Mass: 167.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 147
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 72.7A^2
Experimental Properties
- PSA: 0
Butanoic acid, 4-(acetylamino)-, monosodium salt Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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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