4H-Furo[3,2-b]pyrrole-5-carboxylicacid, 4-methyl- supplier

Name
4-METHYL-4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID
EINECS
CAS No. 117613-30-6
Article Data2
CAS DataBase
Density 1.43 g/cm³
Solubility
Melting Point 200 °C
Formula C₈H₇NO₃
Boiling Point 348.3 °C at 760 mmHg
Molecular Weight 165.148
Flash Point 164.4 °C
Transport Information
Appearance
Safety 26-39
Risk Codes Harmful:;
Molecular Structure
Hazard Symbols
Synonyms 4-Methyl-4H-furo[3, 2-b]pyrrole-5-carboxylic acid;
PSA 55.37000
LogP 1.46950

4H-Furo[3,2-b]pyrrole-5-carboxylicacid, 4-methyl- Specification

The 4H-Furo[3, 2-b]pyrrole-5-carboxylicacid, 4-methyl-, with the CAS registry number of 117613-30-6, is also known as 4H-Furo[3, 2-b]pyrrole-5-carboxylicacid, 4-methyl- (9CI). It belongs to the product category of Glycinescaffold. This chemical's molecular formula is C₈H₇NO₃ and molecular weight is 165.15. What's more, its systematic name is called 4-Methyl-4H-furo[3, 2-b]pyrrole-5-carboxylic acid.

Physical properties about 4H-Furo[3, 2-b]pyrrole-5-carboxylicacid, 4-methyl- are: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3.03; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 44.37 Å²; (11)Index of Refraction: 1.633; (12)Molar Refractivity: 41.17 cm³; (13)Molar Volume: 115.2 cm³; (14)Surface Tension: 52.8 dyne/cm; (15)Density: 1.43 g/cm³; (16)Flash Point: 164.4 °C; (17)Enthalpy of Vaporization: 62.54 kJ/mol; (18)Boiling Point: 348.3 °C at 760 mmHg; (19)Vapour Pressure: 1.92E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2cc1occc1n2C
(2) InChI: InChI=1/C8H7NO3/c1-9-5-2-3-12-7(5)4-6(9)8(10)11/h2-4H,1H3,(H,10,11)
(3) InChIKey: ITEWRYWRNQCNHT-UHFFFAOYAU

Product Name

4-METHYL-4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID

4H-Furo[3,2-b]pyrrole-5-carboxylicacid, 4-methyl- Specification

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