Cas no 3690-89-9 ( )
structure
Product Name:
CAS No:3690-89-9
MF:C5H8N2O3
MW:144.128621101379
CID:921755
PubChem ID:351822
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 6-oxo-1,3-diazinane-4-carboxylic acid
- 6-oxohexahydropyrimidine-4-carboxylic
- SCHEMBL8543714
- AKOS000277052
- 3690-89-9
- NSC-523469
- NSC523469
- DTXSID90326064
-
-
- Inchi: 1S/C5H8N2O3/c8-4-1-3(5(9)10)6-2-7-4/h3,6H,1-2H2,(H,7,8)(H,9,10)
- InChI Key: JOWJMUVVUZISTB-UHFFFAOYSA-N
- SMILES: O=C1CC(C(=O)O)NCN1
Computed Properties
- Exact Mass: 144.05354
- Monoisotopic Mass: 144.05349212g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 168
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3.7
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- PSA: 78.43
Related Literature
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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