Cas no 27472-40-8 (1,2-Propanedione, 1-(1H-pyrrol-2-yl)- (9CI))
27472-40-8 structure
Product Name:1,2-Propanedione, 1-(1H-pyrrol-2-yl)- (9CI)
CAS No:27472-40-8
MF:C7H7NO2
MW:137.135981798172
CID:251210
PubChem ID:45085493
Update Time:2025-04-19
1,2-Propanedione, 1-(1H-pyrrol-2-yl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanedione, 1-(1H-pyrrol-2-yl)- (9CI)
- 1,2-Propanedione,1-(1H-pyrrol-2-yl)-
- 1-(2-Pyrryl)-1,2-propanedione
- 1,2-Propanedione,1-pyrrol-2-yl- (8CI)
- 27472-40-8
- AKOS006355754
- 1-(1H-Pyrrol-2-yl)propane-1,2-dione
- pyrrolylpropanedione
-
- Inchi： 1S/C7H7NO2/c1-5(9)7(10)6-3-2-4-8-6/h2-4,8H,1H3
- InChI Key： IUDRSCTVPATTDQ-UHFFFAOYSA-N
- SMILES： O=C(C(C)=O)C1=CC=CN1
Computed Properties
- Exact Mass: 137.048
- Monoisotopic Mass: 137.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 165
- 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: 0.7
- Topological Polar Surface Area: 49.9A^2
1,2-Propanedione, 1-(1H-pyrrol-2-yl)- (9CI) Related Literature
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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