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7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

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Name

7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

EINECS N/A
CAS No. 1016241-64-7 Density 1.617g/cm3
PSA 78.87000 LogP 0.65610
Solubility N/A Melting Point N/A
Formula C7H5N3O2 Boiling Point N/A
Molecular Weight 163.13 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1016241-64-7 (7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid) Hazard Symbols N/A
Synonyms

7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;

 

7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Specification

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

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