Cas no 22245-54-1 (4-Pyrenemethanol)
4-Pyrenemethanol structure
Product Name:4-Pyrenemethanol
CAS No:22245-54-1
MF:C17H12O
MW:232.276584625244
CID:1407359
PubChem ID:57934637
Update Time:2025-04-20
4-Pyrenemethanol Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrenemethanol
- pyren-4-ylmethanol
- (PYREN-4-YL)METHANOL
- SCHEMBL975512
- DTXSID20728315
- 4-hydroxymethylpyrene
- 22245-54-1
-
- Inchi： 1S/C17H12O/c18-10-14-9-13-5-1-3-11-7-8-12-4-2-6-15(14)17(12)16(11)13/h1-9,18H,10H2
- InChI Key： LABNFNHSRBDQDP-UHFFFAOYSA-N
- SMILES： OCC1C=C2C=CC=C3C=CC4=CC=CC=1C4=C23
Computed Properties
- Exact Mass: 232.08886
- Monoisotopic Mass: 232.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 313
- 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: 4.1
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
4-Pyrenemethanol Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
22245-54-1 (4-Pyrenemethanol) Related Products
- 1468-95-7(9-Anthracenemethanol)
- 22863-82-7(2-(Hydroxymethyl)anthracene)
- 34824-20-9(1,8-Bis(hydroxymethyl)anthracene)
- 4707-72-6(9-Phenanthrenemethanol)
- 10336-29-5((8-Methylnaphthalen-1-yl)methanol)
- 1592-38-7((naphthalen-2-yl)methanol)
- 2606-54-4(Phenanthren-2-ylmethanol)
- 24463-15-8(1-Pyrenemethanol)
- 4780-79-4(1-Naphthalenemethanol)
- 16110-13-7(Benzaanthracene-7-methanol)
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