Cas no 164262-48-0 (1H-Pyrrole-2-carboxylicacid,1-(methoxymethyl)-4-nitro-(9CI))
164262-48-0 structure
Product Name:1H-Pyrrole-2-carboxylicacid,1-(methoxymethyl)-4-nitro-(9CI)
CAS No:164262-48-0
MF:C7H8N2O5
MW:200.14882183075
CID:855769
Update Time:2025-04-19
1H-Pyrrole-2-carboxylicacid,1-(methoxymethyl)-4-nitro-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxylicacid,1-(methoxymethyl)-4-nitro-(9CI)
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- Inchi： 1S/C7H8N2O5/c1-14-4-8-3-5(9(12)13)2-6(8)7(10)11/h2-3H,4H2,1H3,(H,10,11)
- InChI Key： CGELDNYCVGODBW-UHFFFAOYSA-N
- SMILES： N1(COC)C=C([N+]([O-])=O)C=C1C(O)=O
Computed Properties
- Exact Mass: 200.04334
- Monoisotopic Mass: 200.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 239
- 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
- Topological Polar Surface Area: 97.3A^2
Experimental Properties
- PSA: 94.6
1H-Pyrrole-2-carboxylicacid,1-(methoxymethyl)-4-nitro-(9CI) Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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