Cas no 505-37-3 (2-Pentynedioic acid)
2-Pentynedioic acid structure
Product Name:2-Pentynedioic acid
2-Pentynedioic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentynedioic acid
- pent-2-ynedioic acid
- DTXSID30574148
- 505-37-3
- SCHEMBL4973817
- 2-pentyndioic acid
- AKOS006380540
-
- Inchi： 1S/C5H4O4/c6-4(7)2-1-3-5(8)9/h2H2,(H,6,7)(H,8,9)
- InChI Key： MDECULARTTWCDW-UHFFFAOYSA-N
- SMILES： OC(CC#CC(=O)O)=O
Computed Properties
- Exact Mass: 128.01092
- Monoisotopic Mass: 128.01095860g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 192
- 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: -0.1
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
2-Pentynedioic acid Related Literature
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
505-37-3 (2-Pentynedioic acid) Related Products
- 506-24-1(9-Octadecynoic Acid)
- 142-45-0(Acetylenedicarboxylic acid)
- 762-42-5(1,4-dimethyl but-2-ynedioate)
- 38628-65-8(2-Hydroxy-3-butynoic acid)
- 7218-52-2(4-Hydroxybut-2-ynoic acid)
- 928-04-1(Potassium but-2-ynedioate)
- 111-12-6(Methyl 2-octynoate)
- 10227-18-6(Pentaacetyl-5-thioglucose)
- 590-93-2(2-Butynoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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