Cas no 174579-91-0 (1H-Pyrrole-1-propanal)
1H-Pyrrole-1-propanal structure
Product Name:1H-Pyrrole-1-propanal
CAS No:174579-91-0
MF:C7H9NO
MW:123.152461767197
CID:111730
PubChem ID:10920506
Update Time:2025-04-18
1H-Pyrrole-1-propanal Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-1-propanal
- 3-pyrrol-1-ylpropanal
- 1H-Pyrrole-1-propanal(9CI)
- DTXSID10448277
- SCHEMBL21987085
- 174579-91-0
-
- Inchi： 1S/C7H9NO/c9-7-3-6-8-4-1-2-5-8/h1-2,4-5,7H,3,6H2
- InChI Key： PRVQKJFRJQBSFO-UHFFFAOYSA-N
- SMILES： O=CCCN1C=CC=C1
Computed Properties
- Exact Mass: 123.06847
- Monoisotopic Mass: 123.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 86.9
- 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
- Topological Polar Surface Area: 22?2
Experimental Properties
- PSA: 22
1H-Pyrrole-1-propanal Related Literature
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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