Name: METHYL 4H-FURO[3,2-B]PYRROLE-5-CARBOXYLATE
SKU: 77484-99-2

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Basic Information

Molecular Structure:
CAS No.:	77484-99-2
Name:	METHYL 4H-FURO[3,2-B]PYRROLE-5-CARBOXYLATE
Article Data:	5

Formula:	C₈H₇NO₃
Molecular Weight:	165.148
Synonyms:	Methyl4H-furo[3,2-b]pyrrole-5-carboxylate;4H-furo[3,2-b]pyrrole-5-carboxylic acid, methyl ester;
Density:	1.348 g/cm³
Melting Point:	139 °C
Boiling Point:	286.363 °C at 760 mmHg
Flash Point:	126.988 °C
PSA:	55.23000
LogP:	1.54750

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Specification

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