Cas no 150985-69-6 (Methyl 3-(1h-pyrrol-3-yl)propanoate)
150985-69-6 structure
Product Name:Methyl 3-(1h-pyrrol-3-yl)propanoate
CAS No:150985-69-6
MF:C8H11NO2
MW:153.178442239761
CID:1324222
PubChem ID:556813
Update Time:2025-04-20
Methyl 3-(1h-pyrrol-3-yl)propanoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 3-(1h-pyrrol-3-yl)propanoate
- 1H-Pyrrole-3-propanoic acid methyl ester
- 150985-69-6
- PCEAYWGTOUTECR-UHFFFAOYSA-N
- 3-(1H-Pyrrol-3-yl)propionic acid, methyl ester
- AMY32175
- DB-351886
- 1H-Pyrrole-3-propanoic acid, methyl ester
- Methyl 3-(1H-pyrrol-3-yl)propanoate #
-
- Inchi： 1S/C8H11NO2/c1-11-8(10)3-2-7-4-5-9-6-7/h4-6,9H,2-3H2,1H3
- InChI Key： PCEAYWGTOUTECR-UHFFFAOYSA-N
- SMILES： O(C)C(CCC1C=CNC=1)=O
Computed Properties
- Exact Mass: 153.078978594g/mol
- Monoisotopic Mass: 153.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 136
- 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: 0.8
- Topological Polar Surface Area: 42.1?2
Experimental Properties
- Density: 1.117
- Boiling Point: 251 oC
- Flash Point: 105 oC
Methyl 3-(1h-pyrrol-3-yl)propanoate Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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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