Cas no 89607-20-5 (1H-Pyrrole-2-carboxylic acid, 1-methyl-3-nitro-)
89607-20-5 structure
Product Name:1H-Pyrrole-2-carboxylic acid, 1-methyl-3-nitro-
CAS No:89607-20-5
MF:C6H6N2O4
MW:170.122841358185
CID:595108
PubChem ID:45588173
Update Time:2025-04-19
1H-Pyrrole-2-carboxylic acid, 1-methyl-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxylic acid, 1-methyl-3-nitro-
- 1-methyl-3-nitro-1H-Pyrrole-2-carboxylic acid
- 1-methyl-3-nitropyrrole-2-carboxylic acid
- 2-CARBOXY-1-METHYL-3-NITRO-1H-PYRROLE
- 2-CARBOXYLATE-1-METHYL-3-NITROPYRROLE
- DTXSID30670578
- 2-CARBOXYLATE-1-METHYL-3-NITRO-1H-PYRROLE
- MFCD11844794
- FT-0748377
- 89607-20-5
-
- Inchi： 1S/C6H6N2O4/c1-7-3-2-4(8(11)12)5(7)6(9)10/h2-3H,1H3,(H,9,10)
- InChI Key： IVKKDQRZYWIUIS-UHFFFAOYSA-N
- SMILES： OC(C1=C(C=CN1C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 170.033
- Monoisotopic Mass: 170.033
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 212
- 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: 88A^2
- XLogP3: 0.4
1H-Pyrrole-2-carboxylic acid, 1-methyl-3-nitro- Related Literature
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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