6-Formylisoquinoline

CAT: 0024-sc-262849ASize: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-262849ASize:250 mg

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CAS Number

173089-81-1

Chemical Information

Isoquinoline-6-carboxaldehyde

CAS Number	173089-81-1
PubChem CID	15290359
IUPAC Name	isoquinoline-6-carbaldehyde
Molecular Formula	C10H7NO
Molecular Weight	157.17
XLogP	1.7
Topological Polar Surface Area	30
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	169

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

InChIKey

SXPXHJKHWVCCRO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 173089-81-1

CID: 15290359

Formula: C10H7NO

MW: 157.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.17
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	157.052763847
Monoisotopic Mass	157.052763847
Topological Polar Surface Area	30 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
231924-01	3-Formylisoquinoline 98+% (HPLC)
GC4378-5mg	Methyl 6,6'',6''''-trideoxy-6,6'',6''''-triiodo-β-D-cellotrioside
BICL2356-01	Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellohexaoside
GC3568-5mg	Methyl 6,6'',6''''-trideoxy-6,6'',6''''-triiodo-β-D-cellohexaoside
BICL2357-01	Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellotrioside
AAA76464-01	6,6,6-Trifluorohexanoic acid
H211306	Hexanenitrile-6,6,6-d3
JH339811	6,6,6-trideuteriohexanoic acid
TRC-S697002-5MG	Sucrose-1,1,6,6,6’,6’-d6
GC2126-250mg	6,6''-Diazido-6,6''-dideoxy-α, α-D-trehalose