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35405-94-8

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Basic Information
CAS No.: 35405-94-8
Name: ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
Article Data: 16
Molecular Structure:
Molecular Structure of 35405-94-8 (ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate)
Formula: C9H9NO3
Molecular Weight: 179.17
Synonyms: ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
Density: 1.288 g/cm3
Boiling Point: 298.307 °C at 760 mmHg
Flash Point: 134.212 °C
PSA: 55.23000
LogP: 1.93760
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Specification

This chemical is called 4H-Furo[3,2-b]pyrrole-5-carboxylicacid, ethyl ester, and its systematic name is ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate. With the molecular formula of C9H9NO3, its molecular weight is 179.17. The CAS registry number of this chemical is 35405-94-8.

Other characteristics of the 4H-Furo[3,2-b]pyrrole-5-carboxylicacid, ethyl ester can be summarised as followings: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 34; (6)ACD/BCF (pH 7.4): 34; (7)ACD/KOC (pH 5.5): 437; (8)ACD/KOC (pH 7.4): 437; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.23 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 47.234 cm3; (15)Molar Volume: 139.066 cm3; (16)Polarizability: 18.725×10-24cm3; (17)Surface Tension: 49.745 dyne/cm; (18)Density: 1.288 g/cm3; (19)Flash Point: 134.212 °C; (20)Enthalpy of Vaporization: 53.822 kJ/mol; (21)Boiling Point: 298.307 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: CCOC(=O)c1cc2occc2n1
2.InChI: InChI=1/C9H9NO3/c1-2-12-9(11)7-5-8-6(10-7)3-4-13-8/h3-5,10H,2H2,1H3
3.InChIKey: NNABKJKQNGGLKM-UHFFFAOYAJ