Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4H-Furo[3,2-b]pyrrole-5-carboxylicacid, methyl ester |
EINECS | N/A |
CAS No. | 77484-99-2 | Density | 1.348 g/cm3 |
PSA | 55.23000 | LogP | 1.54750 |
Solubility | N/A | Melting Point |
139 °C |
Formula | C8H7NO3 | Boiling Point | 286.363 °C at 760 mmHg |
Molecular Weight | 165.148 | Flash Point | 126.988 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl4H-furo[3,2-b]pyrrole-5-carboxylate;4H-furo[3,2-b]pyrrole-5-carboxylic acid, methyl ester; |
Article Data | 5 |
The 4H-Furo[3,2-b]pyrrole-5-carboxylicacid, methyl ester, with the CAS registry number 77484-99-2, has the systematic name and OUPAC name of methyl 4H-furo[3,2-b]pyrrole-5-carboxylate. And the molecular formula of the chemical is C8H7NO3.
The characteristics of 4H-Furo[3,2-b]pyrrole-5-carboxylicacid, methyl ester are as followings: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.884; (4)ACD/LogD (pH 7.4): 1.884; (5)ACD/BCF (pH 5.5): 15.911; (6)ACD/BCF (pH 7.4): 15.911; (7)ACD/KOC (pH 5.5): 252.231; (8)ACD/KOC (pH 7.4): 252.231; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.23 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 42.601 cm3; (15)Molar Volume: 122.559 cm3; (16)Polarizability: 16.889×10-24cm3; (17)Surface Tension: 52.27 dyne/cm; (18)Density: 1.348 g/cm3; (19)Flash Point: 126.988 °C; (20)Enthalpy of Vaporization: 52.547 kJ/mol; (21)Boiling Point: 286.363 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COC(=O)c1cc2c([nH]1)cco2
(2)InChI: InChI=1/C8H7NO3/c1-11-8(10)6-4-7-5(9-6)2-3-12-7/h2-4,9H,1H3
(3)InChIKey: LIIJOCBTGRORSY-UHFFFAOYAX