Cas no 23466-29-7 (1H-Pyrrole-2-carboxylicacid, 4-ethyl-3-methyl-)
23466-29-7 structure
Product Name:1H-Pyrrole-2-carboxylicacid, 4-ethyl-3-methyl-
CAS No:23466-29-7
MF:C8H11NO2
MW:153.178442239761
CID:252091
PubChem ID:21873955
Update Time:2025-04-19
1H-Pyrrole-2-carboxylicacid, 4-ethyl-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxylicacid, 4-ethyl-3-methyl-
- Pyrrole-2-carboxylicacid, 4-ethyl-3-methyl- (8CI)
- 4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid
- 23466-29-7
- DTXSID40619216
- SCHEMBL7824673
-
- Inchi： 1S/C8H11NO2/c1-3-6-4-9-7(5(6)2)8(10)11/h4,9H,3H2,1-2H3,(H,10,11)
- InChI Key： CUWQXJFQBYKZFD-UHFFFAOYSA-N
- SMILES： OC(C1=C(C)C(=CN1)CC)=O
Computed Properties
- Exact Mass: 153.07903
- Monoisotopic Mass: 153.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 158
- 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
- Surface Charge: 0
- Tautomer Count: 6
- XLogP3: 1.7
- Topological Polar Surface Area: 53.1?2
Experimental Properties
- PSA: 53.09
1H-Pyrrole-2-carboxylicacid, 4-ethyl-3-methyl- Related Literature
-
Mariangela Boccalon,Elisabetta Iengo,Paolo Tecilla Org. Biomol. Chem. 2013 11 4056
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