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Basic Information
CAS No.: 5470-80-4
Name: 3-Isoquinolinecarboxaldehyde
Article Data: 20
Molecular Structure:
Molecular Structure of 5470-80-4 (3-Isoquinolinecarboxaldehyde)
Formula: C10H7NO
Molecular Weight: 157.172
Synonyms: 3-Formylisoquinoline;NSC 27987;
Density: 1.223g/cm3
Melting Point: 47 °C
Boiling Point: 308.6°Cat760mmHg
Flash Point: 148.4°C
PSA: 29.96000
LogP: 2.04730
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Chemistry

Molecule structure of Isoquinoline-3-carbaldehyde (CAS NO.5470-80-4):

IUPAC Name: Isoquinoline-3-carbaldehyde 
Molecular Weight: 157.16868 [g/mol]
Molecular Formula: C10H7NO 
Index of Refraction: 1.687
Molar Refractivity: 48.93 cm3
Molar Volume: 128.4 cm3
Surface Tension: 55.3 dyne/cm
Density: 1.223 g/cm3
Flash Point: 148.4 °C
Enthalpy of Vaporization: 54.92 kJ/mol
Boiling Point: 308.6 °C at 760 mmHg
Vapour Pressure: 0.000675 mmHg at 25 °C
XLogP3-AA: 1.9
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Exact Mass: 157.052764
MonoIsotopic Mass: 157.052764
Topological Polar Surface Area: 30
Heavy Atom Count: 12
Canonical SMILES: C1=CC=C2C=NC(=CC2=C1)C=O
InChI: InChI=1S/C10H7NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-7H
InChIKey: XOYMAJLARWXZBA-UHFFFAOYSA-N
Product Categories: Isoquinoline Derivertives; Building Blocks; Isoquinoline

Specification

 Isoquinoline-3-carbaldehyde (CAS NO.5470-80-4) is also named as 3-Isoquinolinecarboxaldehyde ; 3-Formylisoquinoline .