CAS No.26445-01-2,NAPHTHYL ACETIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26445-01-2
Name:	NAPHTHYL ACETIC ACID

Formula:	C₁₂H₁₀O₂
Molecular Weight:	186.2066
Synonyms:	naphthalen-1-ylacetic acid;1-Naphthaleneacetic acid;1-Naphthylacetic acid;1-Naphthylessigsaeure;2-(1-Naphthyl)acetic acid;2-(α-Naphthyl)ethanoic acid;
Density:	1.233 g/cm³
Melting Point:	134.5-135.5oC
Boiling Point:	373.2 °C at 760mmHg
Flash Point:	270.1 °C
PSA:	26.30000
LogP:	2.76510

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Specification

The Naphthaleneacetic acid, with the CAS registry number 26445-01-2, has the systematic name of naphthalen-1-ylacetic acid. It is a kind of organics, and should be store in the dry and cool environment. The molecular formula of the chemical is C₁₂H₁₀O₂, and its molecular weight is 186.2066.

The characteristics of Naphthaleneacetic acid are as followings: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): -0.28; (5)ACD/BCF (pH 5.5): 4.17; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 43.25; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 55.2 cm³; (15)Molar Volume: 150.9 cm³; (16)Polarizability: 21.88×10^-24cm³; (17)Surface Tension: 54 dyne/cm; (18)Density: 1.233 g/cm³; (19)Flash Point: 270.1 °C; (20)Enthalpy of Vaporization: 65.45 kJ/mol; (21)Boiling Point: 373.2 °C at 760 mmHg; (22)Vapour Pressure: 3.13E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)Cc2cccc1ccccc12
(2)InChI: InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
(3)InChIKey: PRPINYUDVPFIRX-UHFFFAOYAF