Cas no 36131-56-3 (4-formyl-5-nitro-1H-Pyrrole-2-carboxylic acid ethyl ester)
36131-56-3 structure
Product Name:4-formyl-5-nitro-1H-Pyrrole-2-carboxylic acid ethyl ester
CAS No:36131-56-3
MF:C8H8N2O5
MW:212.15952205658
CID:1111488
PubChem ID:54375314
Update Time:2025-04-20
4-formyl-5-nitro-1H-Pyrrole-2-carboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 4-formyl-5-nitro-1H-Pyrrole-2-carboxylic acid ethyl ester
- 4-formyl-5-nitropyrrole-2-carboxylate
- SCHEMBL7562987
- ethyl 4-formyl-5-nitro-1h-pyrrole-2-carboxylate
- Ethyl4-formyl-5-nitro-1H-pyrrole-2-carboxylate
- 36131-56-3
-
- Inchi： 1S/C8H8N2O5/c1-2-15-8(12)6-3-5(4-11)7(9-6)10(13)14/h3-4,9H,2H2,1H3
- InChI Key： UWBQNBYCLTVIJR-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CC(C=O)=C([N+](=O)[O-])N1)=O
Computed Properties
- Exact Mass: 212.04332136g/mol
- Monoisotopic Mass: 212.04332136g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 275
- 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: 0.9
- Topological Polar Surface Area: 105?2
4-formyl-5-nitro-1H-Pyrrole-2-carboxylic acid ethyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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