Cas no 5963-39-3 (Hex-3-ynedioic acid)
Hex-3-ynedioic acid structure
Product Name:Hex-3-ynedioic acid
CAS No:5963-39-3
MF:C6H6O4
MW:142.109442234039
CID:2682158
PubChem ID:13572525
Update Time:2025-04-21
Hex-3-ynedioic acid Chemical and Physical Properties
Names and Identifiers
-
- hex-3-ynedioic acid
- DTXSID60544132
- DTXCID70494917
- 5963-39-3
- AKOS006380542
- SCHEMBL50602
- Hex-3-ynedioic acid
-
- Inchi： 1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h3-4H2,(H,7,8)(H,9,10)
- InChI Key： AMSLCAXTKHXISX-UHFFFAOYSA-N
- SMILES： OC(CC#CCC(=O)O)=O
Computed Properties
- Exact Mass: 142.02660867Da
- Monoisotopic Mass: 142.02660867Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 184
- 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: -0.4
- Topological Polar Surface Area: 74.6?2
Hex-3-ynedioic acid Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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