Cas no 54278-16-9 (1H-Pyrrole-3-acetic acid, 2-carboxy-4,5-dimethyl-)
54278-16-9 structure
Product Name:1H-Pyrrole-3-acetic acid, 2-carboxy-4,5-dimethyl-
CAS No:54278-16-9
MF:C9H11NO4
MW:197.187942743301
CID:1588076
Update Time:2024-08-29
1H-Pyrrole-3-acetic acid, 2-carboxy-4,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole-3-acetic acid, 2-carboxy-4,5-dimethyl-
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- Inchi： 1S/C9H11NO4/c1-4-5(2)10-8(9(13)14)6(4)3-7(11)12/h10H,3H2,1-2H3,(H,11,12)(H,13,14)
- InChI Key： XSGSCNPQXZVTDT-UHFFFAOYSA-N
- SMILES： N1C(C)=C(C)C(CC(O)=O)=C1C(O)=O
Computed Properties
- Exact Mass: 197.06883
Experimental Properties
- Density: 1.405±0.06 g/cm3(Predicted)
- Boiling Point: 441.9±40.0 °C(Predicted)
- PSA: 90.39
- pka: 1.77±0.36(Predicted)
1H-Pyrrole-3-acetic acid, 2-carboxy-4,5-dimethyl- Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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4. 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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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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