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CAS No.: | 1016241-64-7 |
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Name: | 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid |
Molecular Structure: | |
Formula: | C7H5N3O2 |
Molecular Weight: | 163.13 |
Synonyms: | 7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid; |
Density: | 1.617g/cm3 |
PSA: | 78.87000 |
LogP: | 0.65610 |
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The 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, with CAS registry number 1016241-64-7, belongs to the following product category: Chiral Chemicals. It has the systematic name of 7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid. And the chemical formula of this chemical is C7H5N3O2. And its molecular weight is 163.13.
Physical properties of 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 78.87 Å2; (6)Index of Refraction: 1.763; (7)Molar Refractivity: 41.64 cm3; (8)Molar Volume: 100.8 cm3; (9)Polarizability: 16.5×10-24cm3; (10)Surface Tension: 102.8 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c2cncnc2[nH]c1C(=O)O
(2)InChI: InChI=1/C7H5N3O2/c11-7(12)5-1-4-2-8-3-9-6(4)10-5/h1-3H,(H,11,12)(H,8,9,10)
(3)InChIKey: HHZKYTGSMOMGOQ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H5N3O2/c11-7(12)5-1-4-2-8-3-9-6(4)10-5/h1-3H,(H,11,12)(H,8,9,10)
(5)Std. InChIKey: HHZKYTGSMOMGOQ-UHFFFAOYSA-N