Cas no 914219-81-1 ( )
structure
Product Name:
CAS No:914219-81-1
MF:C9H9N3O2
MW:191.186661481857
CID:996387
PubChem ID:29923059
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
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- Imidazo[1,2-a]pyrimidine-3-carboxylic acid,2-methyl-,methyl ester
- methyl 2-methylimidazo[1,2-a]pyrimidine-3-carboxylate
- methyl 2-methyl-imidazo[1,2-a]pyrimidine 3-carboxylate
- 914219-81-1
- AKOS006291290
- DTXSID00652205
-
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- Inchi： 1S/C9H9N3O2/c1-6-7(8(13)14-2)12-5-3-4-10-9(12)11-6/h3-5H,1-2H3
- InChI Key： WHADDOCJJHQGQO-UHFFFAOYSA-N
- SMILES： O(C)C(C1=C(C)N=C2N=CC=CN12)=O
Computed Properties
- Exact Mass: 191.06900
- Monoisotopic Mass: 191.069476538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 234
- 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: 1.7
- Topological Polar Surface Area: 56.5?2
Experimental Properties
- PSA: 56.49000
- LogP: 0.82430
Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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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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