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619-68-1

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Basic Information
CAS No.: 619-68-1
Name: Benzoic acid, 4-nitroso- (9CI)
Article Data: 17
Molecular Structure:
Molecular Structure of 619-68-1 (Benzoic acid, 4-nitroso- (9CI))
Formula: C7H5NO3
Molecular Weight: 151.122
Synonyms: 4-Nitrosobenzoic acid;pNOBA;Benzoic acid, 4-nitro-;
Density: 1.33 g/cm3
Melting Point: 227-230 °C (decomp)
Boiling Point: 327.1 °C at 760 mmHg
Flash Point: 151.6 °C
PSA: 66.73000
LogP: 1.78270
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Specification

The p-Nitrosobenzoic acid, with the CAS registry number 3469-20-3, is also known as Benzoic acid, 4-nitroso-. It belongs to the product category of Carboxylicacid. This chemical's molecular formula is C7H5NO3 and molecular weight is 151.12. What's more, its IUPAC name is 4-Nitrosobenzoic acid.

Physical properties of p-Nitrosobenzoic acid are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.11; (4)ACD/LogD (pH 7.4): -1.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.15; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.73 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 37.86 cm3; (15)Molar Volume: 113.1 cm3; (16)Polarizability: 15×10-24 cm3; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 151.6 °C; (20)Enthalpy of Vaporization: 60.1 kJ/mol; (21)Boiling Point: 327.1 °C at 760 mmHg; (22)Vapour Pressure: 8.39E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C(=O)O)N=O
(2)InChI: InChI=1S/C7H5NO3/c9-7(10)5-1-3-6(8-11)4-2-5/h1-4H,(H,9,10)
(3)InChIKey: CYTWMXYLKADNKE-UHFFFAOYSA-N