Cas no 40801-09-0 (1H-Pyrrole-3,4-dicarboxylicacid, 2,5-dimethyl-, 3,4-dimethyl ester)
40801-09-0 structure
Product Name:1H-Pyrrole-3,4-dicarboxylicacid, 2,5-dimethyl-, 3,4-dimethyl ester
CAS No:40801-09-0
MF:C10H13NO4
MW:211.214523077011
CID:334862
PubChem ID:312932
Update Time:2025-04-19
1H-Pyrrole-3,4-dicarboxylicacid, 2,5-dimethyl-, 3,4-dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3,4-dicarboxylicacid, 2,5-dimethyl-, 3,4-dimethyl ester
- 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester
- 2,5-Dimethyl-3,4-dimethoxycarbonyl-pyrrol
- 2,5-dimethylpyrrole-3,4-dicarboxylic acid dimethyl ester
- 2,5-dimethyl-pyrrole-3,4-dicarboxylic acid dimethyl ester
- AC1L7ME6
- dimethyl 2,5-dimethyl-pyrrole-3,4-dicarboxylate
- Dimethyl-2,5-dimethyl-3,4-pyrroldicarboxylat
- NSC225258
- dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate
- NSC-225258
- DTXSID10310324
- 40801-09-0
-
- Inchi： 1S/C10H13NO4/c1-5-7(9(12)14-3)8(6(2)11-5)10(13)15-4/h11H,1-4H3
- InChI Key： LQWZQGXYZHIWML-UHFFFAOYSA-N
- SMILES： O(C)C(C1=C(C)NC(C)=C1C(=O)OC)=O
Computed Properties
- Exact Mass: 211.08449
- Monoisotopic Mass: 211.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 240
- 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: 1.2
- Topological Polar Surface Area: 68.4?2
Experimental Properties
- Density: 1.199
- Boiling Point: 366.7°Cat760mmHg
- Flash Point: 175.6°C
- Refractive Index: 1.524
- PSA: 68.39
1H-Pyrrole-3,4-dicarboxylicacid, 2,5-dimethyl-, 3,4-dimethyl ester Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
40801-09-0 (1H-Pyrrole-3,4-dicarboxylicacid, 2,5-dimethyl-, 3,4-dimethyl ester) Related Products
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