Cas no 71784-42-4 (Butanoic-3-14C acid,3-oxo-, methyl ester (9CI))
71784-42-4 structure
Product Name:Butanoic-3-14C acid,3-oxo-, methyl ester (9CI)
CAS No:71784-42-4
MF:C5H8O3
MW:118.107763290405
CID:548453
PubChem ID:12208346
Update Time:2025-04-19
Butanoic-3-14C acid,3-oxo-, methyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- Butanoic-3-14C acid,3-oxo-, methyl ester (9CI)
- METHYL ACETOACETATE, [3-14C]
- Methyl acetoacetate,[3-14c]
- 71784-42-4
-
- Inchi： 1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3/i4+2
- InChI Key： WRQNANDWMGAFTP-DOMIDYPGSA-N
- SMILES： O(C)C(C[14C](C)=O)=O
Computed Properties
- Exact Mass: 118.05058610g/mol
- Monoisotopic Mass: 118.05058610g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 106
- 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
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37000
- LogP: 0.13850
Butanoic-3-14C acid,3-oxo-, methyl ester (9CI) Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
71784-42-4 (Butanoic-3-14C acid,3-oxo-, methyl ester (9CI)) Related Products
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