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Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid

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Name

Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid

EINECS N/A
CAS No. 251102-27-9 Density 1.418 g/cm3
PSA 54.60000 LogP 1.03250
Solubility N/A Melting Point 246-248 °C(Solv: ethanol (64-17-5))
Formula C8H6N2O2 Boiling Point N/A
Molecular Weight 162.148 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 251102-27-9 (Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid (9CI)) Hazard Symbols N/A
Synonyms

H-Hyrrolo[1,2-f]pyrimidine-3-carboxylic acid;

Article Data 3

Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid Specification

The Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid, with CAS registry number 251102-27-9, belongs to the following product categories: (1)Glycinescaffold; (2)Aminetertiary; (3)Chiral Chemicals. It has the systematic name of pyrrolo[1,2-c]pyrimidine-3-carboxylic acid. And the chemical formula of this chemical is C8H6N2O2.

Physical properties of Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 54.6 Å2; (11)Index of Refraction: 1.676; (12)Molar Refractivity: 43.026 cm3; (13)Molar Volume: 114.315 cm3; (14)Polarizability: 17.057×10-24cm3; (15)Surface Tension: 60.522 dyne/cm; (16)Density: 1.418 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cc2cccn2cn1
(2)InChI: InChI=1/C8H6N2O2/c11-8(12)7-4-6-2-1-3-10(6)5-9-7/h1-5H,(H,11,12)
(3)InChIKey: OAZGQWMFODAEEV-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H6N2O2/c11-8(12)7-4-6-2-1-3-10(6)5-9-7/h1-5H,(H,11,12)
(5)Std. InChIKey: OAZGQWMFODAEEV-UHFFFAOYSA-N

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