Cas no 647025-81-8 (1H-Pyrrole-3,4-dicarboxylic acid, dibutyl ester)
647025-81-8 structure
Product Name:1H-Pyrrole-3,4-dicarboxylic acid, dibutyl ester
CAS No:647025-81-8
MF:C14H21NO4
MW:267.32084441185
CID:418080
PubChem ID:71379010
Update Time:2025-04-19
1H-Pyrrole-3,4-dicarboxylic acid, dibutyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3,4-dicarboxylic acid, dibutyl ester
- dibutyl 1H-pyrrole-3,4-dicarboxylate
- 647025-81-8
- DTXSID30801603
-
- Inchi： 1S/C14H21NO4/c1-3-5-7-18-13(16)11-9-15-10-12(11)14(17)19-8-6-4-2/h9-10,15H,3-8H2,1-2H3
- InChI Key： BRLUBOIMOQLBBB-UHFFFAOYSA-N
- SMILES： O(C(C1=CNC=C1C(=O)OCCCC)=O)CCCC
Computed Properties
- Exact Mass: 267.14713
- Monoisotopic Mass: 267.14705815g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 10
- Complexity: 265
- 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: 2.9
- Topological Polar Surface Area: 68.4?2
Experimental Properties
- PSA: 68.39
1H-Pyrrole-3,4-dicarboxylic acid, dibutyl ester Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
647025-81-8 (1H-Pyrrole-3,4-dicarboxylic acid, dibutyl ester) Related Products
- 2199-49-7(Ethyl 4-methyl-1h-pyrrole-3-carboxylate)
- 41969-71-5(Diethyl 1H-Pyrrole-3,4-dicarboxylate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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