Cas no 286367-75-7 (Butanoic-13C4 acid,sodium salt (9CI))
286367-75-7 structure
Product Name:Butanoic-13C4 acid,sodium salt (9CI)
CAS No:286367-75-7
MF:C4H7NaO2
MW:111.079607248306
CID:248591
PubChem ID:23696289
Update Time:2025-04-19
Butanoic-13C4 acid,sodium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Butanoic-13C4 acid,sodium salt (9CI)
- sodium;(413C)butanoate
- DTXSID90635688
- SCHEMBL1330881
- Sodium butyrate-4-13C
- Sodium (4-~13~C)butanoate
- 286367-75-7
-
- Inchi： 1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1/i1+1;
- InChI Key： MFBOGIVSZKQAPD-YTBWXGASSA-M
- SMILES： [Na+].[O-]C(CC[13CH3])=O
Computed Properties
- Exact Mass: 111.03772858g/mol
- Monoisotopic Mass: 111.03772858g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 53.7
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 40.1?2
Experimental Properties
- Color/Form: Not determined
- Melting Point: 250-253?°C(lit.)
- Solubility: Not determined
Butanoic-13C4 acid,sodium salt (9CI) Security Information
- WGK Germany：3
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： 26-36
-
Hazardous Material Identification：
- Risk Phrases：20/21/22-36/37/38
Butanoic-13C4 acid,sodium salt (9CI) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
286367-75-7 (Butanoic-13C4 acid,sodium salt (9CI)) Related Products
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