Cas no 119866-62-5 (2H-Pyrrole-2-carboxylicacid, 3,4-dihydro-, methyl ester)
119866-62-5 structure
Product Name:2H-Pyrrole-2-carboxylicacid, 3,4-dihydro-, methyl ester
CAS No:119866-62-5
MF:C6H9NO2
MW:127.141161680222
CID:132304
PubChem ID:14102690
Update Time:2025-04-19
2H-Pyrrole-2-carboxylicacid, 3,4-dihydro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyrrole-2-carboxylicacid, 3,4-dihydro-, methyl ester
- 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-, methyl ester (9CI)
- 119866-62-5
- Methyl 3,4-dihydro-2H-pyrrole-2-carboxylate
- 2-methoxycarbonyl-5-pyrroline
- 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-, methyl ester
- DTXSID401199692
-
- Inchi： 1S/C6H9NO2/c1-9-6(8)5-3-2-4-7-5/h4-5H,2-3H2,1H3
- InChI Key： UUOIGFORPIYIRI-UHFFFAOYSA-N
- SMILES： O(C)C(C1CCC=N1)=O
Computed Properties
- Exact Mass: 127.06337
- Monoisotopic Mass: 127.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 142
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.2
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.66
2H-Pyrrole-2-carboxylicacid, 3,4-dihydro-, methyl ester Related Literature
-
Peter B. Hitchcock,Shazia Rahman (née Masood),Douglas W. Young Org. Biomol. Chem. 2003 1 2682
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