Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Benzoic acid, 3-(1H-pyrrol-1-yl)-

Related Products

Hot Products

Name

Benzoic acid, 3-(1H-pyrrol-1-yl)-

EINECS N/A
CAS No. 61471-45-2 Density 1.18 g/cm3
PSA 42.23000 LogP 2.17550
Solubility N/A Melting Point 180 °C
Formula C11H9NO2 Boiling Point 376.6 °C at 760 mmHg
Molecular Weight 187.198 Flash Point 181.6 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes  Xi:Irritant;
Molecular Structure Molecular Structure of 61471-45-2 (3-(1H-PYRROL-1-YL)BENZOIC ACID) Hazard Symbols IrritantXi
Synonyms

3-(1-Pyrrolyl)benzoicacid;3-(1H-Pyrrol-1-yl)benzoic acid;

Article Data 2

Benzoic acid, 3-(1H-pyrrol-1-yl)- Specification

This chemical is called Benzoic acid, 3-(1H-pyrrol-1-yl)-, and its systematic name is 3-(1H-pyrrol-1-yl)benzoic acid. With the molecular formula of C11H9NO2, its molecular weight is 187.19. The CAS registry number of this chemical is 61471-45-2.

Other characteristics of the Benzoic acid, 3-(1H-pyrrol-1-yl)- can be summarised as followings: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 1.28; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13.14; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 31.23 Å2; (12)Index of Refraction: 1.596; (13)Molar Refractivity: 53.79 cm3; (14)Molar Volume: 157.9 cm3; (15)Polarizability: 21.32×10-24cm3; (16)Surface Tension: 47.5 dyne/cm; (17)Density: 1.18 g/cm3; (18)Flash Point: 181.6 °C; (19)Enthalpy of Vaporization: 65.85 kJ/mol; (20)Boiling Point: 376.6 °C at 760 mmHg; (21)Vapour Pressure: 2.43E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)c1cccc(c1)n2cccc2
2.InChI: InChI=1/C11H9NO2/c13-11(14)9-4-3-5-10(8-9)12-6-1-2-7-12/h1-8H,(H,13,14)
3.InChIKey: PODFNQCZFHLJPH-UHFFFAOYAO

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 61471-45-2