Cas no 101391-58-6 (2-Butynedioic acid-13C2)
2-Butynedioic acid-13C2 structure
Product Name:2-Butynedioic acid-13C2
CAS No:101391-58-6
MF:C4H2O4
MW:116.04159116745
CID:2623109
Update Time:2023-08-07
2-Butynedioic acid-13C2 Chemical and Physical Properties
Names and Identifiers
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- 2-Butynedioic acid-13C2
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- Inchi： 1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8)/i1+1,2+1
- InChI Key： YTIVTFGABIZHHX-ZDOIIHCHSA-N
- SMILES： OC([13C]#[13C]C(=O)O)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 161
- Topological Polar Surface Area: 74.6
2-Butynedioic acid-13C2 Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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