6-Isoquinolinecarboxaldehyde - CAS 173089-81-1

Catalog:	BB012884
Product Name:	6-Isoquinolinecarboxaldehyde
CAS:	173089-81-1
Synonyms:	6-isoquinolinecarboxaldehyde; isoquinoline-6-carbaldehyde

Technical Data

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Patents

Computed Properties

IUPAC Name:	isoquinoline-6-carbaldehyde
Description:	6-Isoquinolinecarboxaldehyde (CAS# 173089-81-1) is a useful research chemical.
Molecular Weight:	157.17
Molecular Formula:	C10H7NO
Canonical SMILES:	C1=CC2=C(C=CN=C2)C=C1C=O
InChI:	InChI=1S/C10H7NO/c12-7-8-1-2-10-6-11-4-3-9(10)5-8/h1-7H
InChI Key:	SXPXHJKHWVCCRO-UHFFFAOYSA-N
Boiling Point:	331.718 °C at 760 mmHg
Density:	1.224 g/cm³
LogP:	2.04730

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.052763847
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	157.052763847
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7