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CAS No.: | 148214-62-4 |
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Name: | 1H-Pyrrolo[2,3-d]pyrimidine, 2-methoxy- (9CI) |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H7N3O |
Molecular Weight: | 149.15 |
Synonyms: | 1H-Pyrrolo[2,3-d]pyrimidine,2-methoxy- (9CI);2-Methoxy-7H-pyrrolo[2,3-d]pyrimidine;2-Methoxy-1H-pyrrolo[2,3-d]pyrimidine; |
Density: | 1.328 g/cm3 |
PSA: | 50.80000 |
LogP: | 0.96650 |
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The 7H-Pyrrolo[2,3-d]pyrimidine,2-methoxy-, with the CAS registry number 148214-62-4, is also known as 2-Methoxy-1H-pyrrolo[2,3-d]pyrimidine. This chemical's molecular formula is C7H7N3O and molecular weight is 149.15. What's more, its systematic name is 2-Methoxy-7H-pyrrolo[2,3-d]pyrimidine and it belongs to the product category of Pyrimidine.
Physical properties of 7H-Pyrrolo[2,3-d]pyrimidine,2-methoxy- are: (1)ACD/LogP: 1.06; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 33; (5)ACD/KOC (pH 7.4): 34; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 50.8 Å2; (10)Index of Refraction: 1.658; (11)Molar Refractivity: 41.39 cm3; (12)Molar Volume: 112.322 cm3; (13)Polarizability: 16.408×10-24 cm3; (14)Surface Tension: 62.391 dyne/cm; (15)Density: 1.328 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: n1cc2c(nc1OC)ncc2
(2)InChI: InChI=1S/C7H7N3O/c1-11-7-9-4-5-2-3-8-6(5)10-7/h2-4H,1H3,(H,8,9,10)
(3)InChIKey: WHKREDGGELKXFP-UHFFFAOYSA-N