Cas no 193071-37-3 (4(3H)-Pyrimidinone,2,6-bis(hydroxymethyl)-)
193071-37-3 structure
Product Name:4(3H)-Pyrimidinone,2,6-bis(hydroxymethyl)-
CAS No:193071-37-3
MF:C6H8N2O3
MW:156.139321327209
CID:116303
PubChem ID:136247522
Update Time:2025-04-18
4(3H)-Pyrimidinone,2,6-bis(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Pyrimidinone,2,6-bis(hydroxymethyl)-
- 4(1H)-Pyrimidinone, 2,6-bis(hydroxymethyl)- (9CI)
- 2,6-Bis(hydroxymethyl)pyrimidin-4(1H)-one
- 193071-37-3
-
- Inchi： 1S/C6H8N2O3/c9-2-4-1-6(11)8-5(3-10)7-4/h1,9-10H,2-3H2,(H,7,8,11)
- InChI Key： BTZCEWVTNWKFAH-UHFFFAOYSA-N
- SMILES： OCC1=NC(CO)=CC(N1)=O
Computed Properties
- Exact Mass: 156.05354
- Monoisotopic Mass: 156.05349212g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 232
- 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: -2.3
- Topological Polar Surface Area: 81.9?2
Experimental Properties
- PSA: 81.92
4(3H)-Pyrimidinone,2,6-bis(hydroxymethyl)- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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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