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5386-25-4

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Basic Information
CAS No.: 5386-25-4
Name: 2-HYDROXY-1-NAPHTHALDEHYDE
Article Data: 4
Molecular Structure:
Molecular Structure of 5386-25-4 (2-HYDROXY-1-NAPHTHALDEHYDE)
Formula: C11H10O2
Molecular Weight: 174.199
Synonyms: 1-Hydroxymethyl-2-naphthol;
EINECS: 211-902-0
Density: 1.283 g/cm3
Melting Point: 76-80 °C(lit.)
Boiling Point: 382.464 °C at 760 mmHg
Flash Point: 194.299 °C
Hazard Symbols: Xi,N
Risk Codes: 36/37/38-50/53
Safety: 26-36-60-61
PSA: 37.30000
LogP: 2.35790
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Specification

This chemical is called 1-Naphthalenemethanol,2-hydroxy-, and its systematic name is 1-(hydroxymethyl)naphthalen-2-ol. With the molecular formula of C11H10O2, its molecular weight is 172.18. The CAS registry number of this chemical is 5386-25-4.

Other characteristics of the 1-Naphthalenemethanol,2-hydroxy- can be summarised as followings: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 162; (8)ACD/KOC (pH 7.4): 158; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 52.428 cm3; (15)Molar Volume: 135.796 cm3; (16)Polarizability: 20.784×10-24cm3; (17)Surface Tension: 61.1 dyne/cm; (18)Density: 1.283 g/cm3; (19)Flash Point: 194.299 °C; (20)Enthalpy of Vaporization: 66.546 kJ/mol; (21)Boiling Point: 382.464 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: OCc1c2ccccc2ccc1O
2.InChI: InChI=1/C11H10O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-6,12-13H,7H2
3.InChIKey: XKGYFYNLSLYSMQ-UHFFFAOYAS