Cas no 56164-41-1 (1H-Pyrrole-2-carboxaldehyde, 3-phenyl-)
56164-41-1 structure
Product Name:1H-Pyrrole-2-carboxaldehyde, 3-phenyl-
CAS No:56164-41-1
MF:C11H9NO
MW:171.195262670517
CID:349614
PubChem ID:15619178
Update Time:2025-04-19
1H-Pyrrole-2-carboxaldehyde, 3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxaldehyde, 3-phenyl-
- 3-phenyl-1H-pyrrole-2-carbaldehyde
- 56164-41-1
- SCHEMBL1127261
- DTXSID10575835
- AKOS000368960
-
- Inchi： 1S/C11H9NO/c13-8-11-10(6-7-12-11)9-4-2-1-3-5-9/h1-8,12H
- InChI Key： XQHHQHLBBGQOHO-UHFFFAOYSA-N
- SMILES： O=CC1=C(C=CN1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 171.06847
- Monoisotopic Mass: 171.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 175
- 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: 2.1
- Topological Polar Surface Area: 32.9?2
Experimental Properties
- PSA: 32.86
1H-Pyrrole-2-carboxaldehyde, 3-phenyl- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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
56164-41-1 (1H-Pyrrole-2-carboxaldehyde, 3-phenyl-) Related Products
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