Cas no 66582-72-7 (1H-Pyrrole-3,4-dimethanol)
1H-Pyrrole-3,4-dimethanol structure
Product Name:1H-Pyrrole-3,4-dimethanol
CAS No:66582-72-7
MF:C6H9NO2
MW:127.141161680222
CID:396121
PubChem ID:71375039
Update Time:2025-04-19
1H-Pyrrole-3,4-dimethanol Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3,4-dimethanol
- (1H-pyrrole-3,4-diyl)diMethanol
- [4-(hydroxymethyl)-1H-pyrrol-3-yl]methanol
- 66582-72-7
- DTXSID10797792
-
- Inchi： 1S/C6H9NO2/c8-3-5-1-7-2-6(5)4-9/h1-2,7-9H,3-4H2
- InChI Key： HBXRQGSUIKZNNX-UHFFFAOYSA-N
- SMILES： OCC1=CNC=C1CO
Computed Properties
- Exact Mass: 127.06337
- Monoisotopic Mass: 127.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 77.1
- 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: -1.1
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 56.25
1H-Pyrrole-3,4-dimethanol Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
66582-72-7 (1H-Pyrrole-3,4-dimethanol) Related Products
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