Name: 4H-Furo[3,2-b]pyrrole-5-carboxylic acid
SKU: 67268-37-5

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Basic Information

Molecular Structure:
CAS No.:	67268-37-5
Name:	4H-Furo[3,2-b]pyrrole-5-carboxylic acid
Article Data:	8

Formula:	C₇H₅NO₃
Molecular Weight:	151.122
Synonyms:	4H-Furo[3, 2-b]pyrrole-5-carboxylicacid (9CI);
Density:	1.554 g/cm³
Boiling Point:	384 °C at 760 mmHg
Flash Point:	186 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	66.23000
LogP:	1.45910

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Specification

The 4H-Furo[3, 2-b]pyrrole-5-carboxylic acid, with the CAS registry number 67268-37-5, is also known as 4H-Furo[3, 2-b]pyrrole-5-carboxylicacid (9CI). It belongs to the product categories of Carboxylicacid; Glycinescaffold. This chemical's molecular formula is C₇H₅NO₃ and molecular weight is 151.1195. What's more, its IUPAC name is 4H-Furo[3, 2-b]pyrrole-5-carboxylic acid.

Physical properties about 4H-Furo[3, 2-b]pyrrole-5-carboxylic acid are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): -1.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.78; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.37 Å²; (13)Index of Refraction: 1.704; (14)Molar Refractivity: 37.75 cm³; (15)Molar Volume: 97.1 cm³; (16)Polarizability: 14.96×10^-24 cm³; (17)Surface Tension: 75.8 dyne/cm; (18)Density: 1.554 g/cm³; (19)Flash Point: 186 °C; (20)Enthalpy of Vaporization: 66.73 kJ/mol; (21)Boiling Point: 384 °C at 760 mmHg; (22)Vapour Pressure: 1.39E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2cc1occc1n2
(2) InChI: InChI=1/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
(3) InChIKey: MMAIBGHDBYQYDI-UHFFFAOYAW