Cas no 4030-28-8 (4,5-dihydro-2,4-dimethyl-5-oxo-1H-Pyrrole-3-carboxylic acid ethyl ester)
4030-28-8 structure
Product Name:4,5-dihydro-2,4-dimethyl-5-oxo-1H-Pyrrole-3-carboxylic acid ethyl ester
CAS No:4030-28-8
MF:C9H13NO3
MW:183.204422712326
CID:1112061
PubChem ID:138098
Update Time:2025-04-20
4,5-dihydro-2,4-dimethyl-5-oxo-1H-Pyrrole-3-carboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4,5-dihydro-2,4-dimethyl-5-oxo-1H-Pyrrole-3-carboxylic acid ethyl ester
- 2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester
- ethyl 5-hydroxy-2,4-dimethyl-1H-pyrrole-3-carboxylate
- DTXSID10193316
- 4030-28-8
-
- Inchi： 1S/C9H13NO3/c1-4-13-9(12)7-5(2)8(11)10-6(7)3/h10-11H,4H2,1-3H3
- InChI Key： JNQZBAQUMFAVOI-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=C(C)NC(=C1C)O)=O
Computed Properties
- Exact Mass: 183.08959
- Monoisotopic Mass: 183.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 195
- 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: 1.7
- Topological Polar Surface Area: 62.3?2
Experimental Properties
- Density: 1.196
- Boiling Point: 377.5°C at 760 mmHg
- Flash Point: 182.1°C
- Refractive Index: 1.547
- PSA: 62.32
4,5-dihydro-2,4-dimethyl-5-oxo-1H-Pyrrole-3-carboxylic acid ethyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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