Cas no 134434-33-6 (4-Quinazolinol (9CI))
4-Quinazolinol (9CI) structure
Product Name:4-Quinazolinol (9CI)
CAS No:134434-33-6
MF:C8H6N2O
MW:146.14604139328
CID:900148
Update Time:2025-04-19
4-Quinazolinol (9CI) Chemical and Physical Properties
Names and Identifiers
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- 4-Quinazolinol (9CI)
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- Inchi： 1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
- InChI Key： QMNUDYFKZYBWQX-UHFFFAOYSA-N
- SMILES： OC1C2C(=CC=CC=2)N=CN=1
Computed Properties
- Exact Mass: 146.04808
- Monoisotopic Mass: 146.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 200
- 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: 41.5A^2
Experimental Properties
- PSA: 46.01
4-Quinazolinol (9CI) Related Literature
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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