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26445-01-2

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Basic Information
CAS No.: 26445-01-2
Name: Naphthaleneacetic acid
Molecular Structure:
Molecular Structure of 26445-01-2 (Naphthaleneacetic 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;
EINECS: N/A
Density: 1.233 g/cm3
Melting Point: 134.5-135.5oC
Boiling Point: 373.2 °C at 760mmHg
Flash Point: 270.1 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
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