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Basic Information
CAS No.: 107407-80-7
Name: ETHYL PYRROLO[1,2-C]PYRIMIDINE-3-CARBOXYLATE
Article Data: 6
Molecular Structure:
Molecular Structure of 107407-80-7 (ETHYL PYRROLO[1,2-C]PYRIMIDINE-3-CARBOXYLATE)
Formula: C10H10N2O2
Molecular Weight: 190.202
Synonyms: Ethylpyrrolo[1,2-c]pyrimidine-3-carboxylate;
Density: 1.22 g/cm3
Melting Point: 69-70 °C
PSA: 43.60000
LogP: 1.51100
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Specification

The Pyrrolo[1,2-c]pyrimidine-3-carboxylicacid, ethyl ester, with the CAS registry number 107407-80-7, is also known as ZINC00167694. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C10H10N2O2 and molecular weight is 190.1986. Its IUPAC name is called ethyl pyrrolo[1,2-c]pyrimidine-3-carboxylate.

Physical properties of Pyrrolo[1,2-c]pyrimidine-3-carboxylicacid, ethyl ester: (1)ACD/LogP: 1.61; (2)ACD/LogD (pH 5.5): 1.61; (3)ACD/LogD (pH 7.4): 1.61; (4)ACD/BCF (pH 5.5): 9.81; (5)ACD/BCF (pH 7.4): 9.81; (6)ACD/KOC (pH 5.5): 178.44; (7)ACD/KOC (pH 7.4): 178.44; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.594; (11)Molar Refractivity: 52.59 cm3; (12)Molar Volume: 154.9 cm3; (13)Surface Tension: 45.3 dyne/cm; (14)Density: 1.22 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CC2=CC=CN2C=N1
(2)InChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)9-6-8-4-3-5-12(8)7-11-9/h3-7H,2H2,1H3
(3)InChIKey: RUBOVOPFBPEEJU-UHFFFAOYSA-N