Cas no 2386-23-4 (1H-Pyrrole-3-propanoicacid, 4-methyl-)
2386-23-4 structure
Product Name:1H-Pyrrole-3-propanoicacid, 4-methyl-
CAS No:2386-23-4
MF:C8H11NO2
MW:153.178442239761
CID:284288
PubChem ID:15160751
Update Time:2025-04-19
1H-Pyrrole-3-propanoicacid, 4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3-propanoicacid, 4-methyl-
- 3-(4-methyl-1H-pyrrol-3-yl)propanoic acid
- 3-(2-Carboxyethyl)-4-methylpyrrole
- Opsoic acid
- Pyrrole-3-propionicacid, 4-methyl- (6CI,7CI,8CI)
- 2386-23-4
- SCHEMBL151413
- 4-methylpyrrole-3-propanoic acid
- DTXSID70569336
- FYMPIGRRSUORAR-UHFFFAOYSA-N
-
- Inchi： 1S/C8H11NO2/c1-6-4-9-5-7(6)2-3-8(10)11/h4-5,9H,2-3H2,1H3,(H,10,11)
- InChI Key： FYMPIGRRSUORAR-UHFFFAOYSA-N
- SMILES： OC(CCC1=CNC=C1C)=O
Computed Properties
- Exact Mass: 153.07903
- Monoisotopic Mass: 153.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 147
- 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: 53.1?2
Experimental Properties
- PSA: 53.09
1H-Pyrrole-3-propanoicacid, 4-methyl- Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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