CAS No.90724-57-5,Pyrrole-2-carboxylic acid, 3-methyl- (6CI,7CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	90724-57-5
Name:	Pyrrole-2-carboxylic acid, 3-methyl- (6CI,7CI)
Article Data:	8

Formula:	C₆H₇NO₂
Molecular Weight:	125.127
Synonyms:	Pyrrole-2-carboxylicacid, 3-methyl- (6CI,7CI);
Density:	1.295 g/cm³
Boiling Point:	322.4 °C at 760 mmHg
Flash Point:	148.8 °C
PSA:	53.09000
LogP:	1.02130

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Specification

This chemical is called Pyrrole-2-carboxylic acid,3-methyl-(6CI,7CI), and its systematic name is 3-methyl-1H-pyrrole-2-carboxylic acid. With the molecular formula of C₆H₇NO₂, its molecular weight is 125.12. The CAS registry number of this chemical is 90724-57-5. Additionally, its product category is Pyrrole.

Other characteristics of the Pyrrole-2-carboxylic acid,3-methyl-(6CI,7CI) can be summarised as followings: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/LogD (pH 7.4): -1.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.22; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 32.44 cm³; (15)Molar Volume: 96.5 cm³; (16)Polarizability: 12.86×10^-24cm³; (17)Surface Tension: 58.1 dyne/cm; (18)Density: 1.295 g/cm³; (19)Flash Point: 148.8 °C; (20)Enthalpy of Vaporization: 59.57 kJ/mol; (21)Boiling Point: 322.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000115 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1c(ccn1)C
2.InChI: InChI=1/C6H7NO2/c1-4-2-3-7-5(4)6(8)9/h2-3,7H,1H3,(H,8,9)
3.InChIKey: YIVHOQIKHMTVRG-UHFFFAOYAH