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Basic Information
CAS No.: 77029-01-7
Name: 1-CYANO-6-METHOXYNAPHTHALENE
Article Data: 9
Molecular Structure:
Molecular Structure of 77029-01-7 (1-CYANO-6-METHOXYNAPHTHALENE)
Formula: C12H9NO
Molecular Weight: 183.21
Synonyms: 1-Naphthonitrile,6-methoxy- (4CI);5-Cyano-2-methoxynaphthalene;6-Methoxy-1-cyanonaphthalene;6-Methoxy-1-naphthalenecarbonitrile;
Density: 1.16 g/cm3
Melting Point: 79 °C
Boiling Point: 348.2 °C at 760 mmHg
Flash Point: 146.9 °C
PSA: 33.02000
LogP: 2.72008
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Specification

The 1-Naphthalenecarbonitrile,6-methoxy- is an organic compound with the formula C12H9NO. With the CAS registry number 77029-01-7, the systematic name of this chemical is 6-methoxynaphthalene-1-carbonitrile.

Physical properties about 1-Naphthalenecarbonitrile,6-methoxy- are: (1)ACD/LogP: 2.80; (2)ACD/LogD (pH 5.5): 2.8; (3)ACD/LogD (pH 7.4): 2.8; (4)ACD/BCF (pH 5.5): 79.21; (5)ACD/BCF (pH 7.4): 79.21; (6)ACD/KOC (pH 5.5): 795.72; (7)ACD/KOC (pH 7.4): 795.72; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 33.02 Å2; (11)Index of Refraction: 1.622; (12)Molar Refractivity: 55.24 cm3; (13)Molar Volume: 156.6 cm3; (14)Polarizability: 21.89×10-24cm3; (15)Surface Tension: 49.9 dyne/cm; (16)Density: 1.16 g/cm3; (17)Flash Point: 146.9 °C; (18)Enthalpy of Vaporization: 59.26 kJ/mol; (19)Boiling Point: 348.2 °C at 760 mmHg; (20)Vapour Pressure: 5.11E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cccc2c1ccc(OC)c2
(2)InChI: InChI=1/C12H9NO/c1-14-11-5-6-12-9(7-11)3-2-4-10(12)8-13/h2-7H,1H3
(3)InChIKey: PGQFNNJLLVRLLW-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C12H9NO/c1-14-11-5-6-12-9(7-11)3-2-4-10(12)8-13/h2-7H,1H3
(5)Std. InChIKey: PGQFNNJLLVRLLW-UHFFFAOYSA-N