CAS No.129075-49-6,5-METHOXY-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	129075-49-6
Name:	5-METHOXY-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE
Article Data:	10

Formula:	C₁₀H₁₁NO₂
Molecular Weight:	177.1998
Synonyms:	5-Methoxy-3,4-dihydro-1(2H)-isoquinolinone;
Density:	1.159g/cm³
Boiling Point:	439.8 °C at 760 mmHg
Flash Point:	219.8 °C
PSA:	38.33000
LogP:	1.30990

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Specification

The 1(2H)-Isoquinolinone,3,4-dihydro-5-methoxy-, with CAS registry number 129075-49-6, has the systematic name of 5-methoxy-3,4-dihydroisoquinolin-1(2H)-one. Besides this, it is also called 5-Methoxy-3,4-dihydro-1(2h)-isoquinolinone. And the chemical formula of this chemical is C₁₀H₁₁NO₂.

Physical properties of 1(2H)-Isoquinolinone,3,4-dihydro-5-methoxy-: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 1.24; (6)ACD/BCF (pH 7.4): 1.24; (7)ACD/KOC (pH 5.5): 40.59; (8)ACD/KOC (pH 7.4): 40.59; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 48.58 cm³; (15)Molar Volume: 152.7 cm³; (16)Polarizability: 19.26×10^-24cm³; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.159 g/cm³; (19)Flash Point: 219.8 °C; (20)Enthalpy of Vaporization: 69.68 kJ/mol; (21)Boiling Point: 439.8 °C at 760 mmHg; (22)Vapour Pressure: 6.2E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1cccc(OC)c1CCN2
(2)InChI: InChI=1/C10H11NO2/c1-13-9-4-2-3-8-7(9)5-6-11-10(8)12/h2-4H,5-6H2,1H3,(H,11,12)
(3)InChIKey: OESOLVOZJGIVMY-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H11NO2/c1-13-9-4-2-3-8-7(9)5-6-11-10(8)12/h2-4H,5-6H2,1H3,(H,11,12)
(5)Std. InChIKey: OESOLVOZJGIVMY-UHFFFAOYSA-N