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4-Isoquinolinecarboxaldehyde,1,2-dihydro-1-oxo- (63125-40-6)

Identification
Name:4-Isoquinolinecarboxaldehyde,1,2-dihydro-1-oxo-
Synonyms:4-isoquinolinecarboxaldehyde, 1,2-dihydro-1-oxo-
CAS:63125-40-6
Molecular Formula: C10H7NO2
Molecular Weight: 173.17
InChI: InChI=1/C10H7NO2/c12-6-7-5-11-10(13)9-4-2-1-3-8(7)9/h1-6H,(H,11,13)
Molecular Structure: (C10H7NO2) 4-isoquinolinecarboxaldehyde, 1,2-dihydro-1-oxo-
Properties
Density:1.367
Refractive index:1.685
Specification:

The 1-Oxo-1,2-dihydroisoquinoline-4-carbaldehyde is an organic compound with the formula C10H7NO2. The systematic name of this chemical is 1-oxo-1,2-dihydroisoquinoline-4-carbaldehyde. With the CAS registry number 63125-40-6, it is also named as 4-isoquinolinecarboxaldehyde, 1,2-dihydro-1-oxo-.

Physical properties about 1-Oxo-1,2-dihydroisoquinoline-4-carbaldehyde are: (1)ACD/LogP: 2.28; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 52; (7) ACD/KOC (pH 7.4): 52; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 46.17 Å2; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 48.114 cm3; (14)Molar Volume: 126.656 cm3; (15)Polarizability: 19.074×10-24cm3; (16)Surface Tension: 64.399 dyne/cm; (17)Density: 1.367 g/cm3; (18)Flash Point: 218.262 °C; (19)Enthalpy of Vaporization: 71.31 kJ/mol; (20)Boiling Point: 453.66 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\C1=C\NC(=O)c2ccccc12
(2)InChI: InChI=1/C10H7NO2/c12-6-7-5-11-10(13)9-4-2-1-3-8(7)9/h1-6H,(H,11,13)
(3)InChIKey: NQYUPIHTJCUWKA-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C10H7NO2/c12-6-7-5-11-10(13)9-4-2-1-3-8(7)9/h1-6H,(H,11,13)
(5)Std. InChIKey: NQYUPIHTJCUWKA-UHFFFAOYSA-N

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