Indole-6-carboxaldehyde

CAT: 0024-sc-218599Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-218599Size:250 mg

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CAS Number

1196-70-9

Chemical Information

1H-Indole-6-carboxaldehyde

CAS Number	1196-70-9
PubChem CID	2773435
IUPAC Name	1H-indole-6-carbaldehyde
Molecular Formula	C9H7NO
Molecular Weight	145.16
XLogP	2.1
Topological Polar Surface Area	32.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	158

SMILES

C1=CC(=CC2=C1C=CN2)C=O

InChI

InChI=1S/C9H7NO/c11-6-7-1-2-8-3-4-10-9(8)5-7/h1-6,10H

InChIKey

VSPBWOAEHQDXRD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1196-70-9

CID: 2773435

Formula: C9H7NO

MW: 145.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	145.16
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	145.052763847
Monoisotopic Mass	145.052763847
Topological Polar Surface Area	32.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
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
sc-262862A	6-Methoxy-1H-indole-3-carboxaldehyde
sc-262862	6-Methoxy-1H-indole-3-carboxaldehyde
sc-218600	Indole-7-carboxaldehyde
sc-252905	Indole-2-carboxaldehyde
sc-257609	Indole-3-carboxaldehyde
sc-218598	Indole-5-carboxaldehyde
sc-211642	Indole-3-carboxaldehyde-13C
sc-262224A	4,5,6,7-Tetrafluoro-1H-indole-3-carboxaldehyde
sc-262224	4,5,6,7-Tetrafluoro-1H-indole-3-carboxaldehyde
sc-258783	1-Methyl-1H-indole-5-carboxaldehyde

Catalog	Name
I615000	Indole-6-carboxaldehyde
OR10489-01	1H-Indole-6-carboxaldehyde
MBS6023172-01	Indole-6-carboxaldehyde (6-Formylindole)
238986-01	Indole-6-carboxaldehyde 98+% (HPLC)
OR16855	6-Bromo-1H-indole-2-carboxaldehyde
XEC09639-01	3-Bromo-1H-indole-6-carboxaldehyde
PC9685-01	6-Fluoro-1H-indole-3-carboxaldehyde
OR1676	6-Benzyloxy-1H-indole-3-carboxaldehyde
OR1694-01	6-Methoxy-1H-indole-3-carboxaldehyde
OR12354-01	6-Bromo-1H-indole-3-carboxaldehyde