Cas no 918625-11-3 (1H-Pyrrole-2-carboxylic acid, 4-formyl-, 5-(formyloxy)pentyl ester)
918625-11-3 structure
Product Name:1H-Pyrrole-2-carboxylic acid, 4-formyl-, 5-(formyloxy)pentyl ester
CAS No:918625-11-3
MF:C12H15NO5
MW:253.251203775406
CID:772864
PubChem ID:71426726
Update Time:2025-04-19
1H-Pyrrole-2-carboxylic acid, 4-formyl-, 5-(formyloxy)pentyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole-2-carboxylic acid, 4-formyl-, 5-(formyloxy)pentyl ester
- 5-formyloxypentyl 4-formyl-1H-pyrrole-2-carboxylate
- 918625-11-3
- 5-(FORMYLOXY)PENTYL 4-FORMYL-1H-PYRROLE-2-CARBOXYLATE
- DTXSID00845478
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- Inchi： 1S/C12H15NO5/c14-8-10-6-11(13-7-10)12(16)18-5-3-1-2-4-17-9-15/h6-9,13H,1-5H2
- InChI Key： PRKCXKQSBYRVFW-UHFFFAOYSA-N
- SMILES： O(C(C1=CC(C=O)=CN1)=O)CCCCCOC=O
Computed Properties
- Exact Mass: 253.09502258g/mol
- Monoisotopic Mass: 253.09502258g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 10
- Complexity: 282
- 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: 1.3
- Topological Polar Surface Area: 85.5?2
1H-Pyrrole-2-carboxylic acid, 4-formyl-, 5-(formyloxy)pentyl ester Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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