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Indole-4-carboxaldehyde

CAT: 0804-HY-W001288-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W001288-01Size:5 g
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Description
1H-Indole-4-carbaldehyde is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
CAS Number
1074-86-8
UNSPSC
12352200
Hazard Statement
H302, H317, H319
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/indole-4-carboxaldehyde.html
Purity
99.85
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=CC1=CC=CC2=C1C=CN2
Molecular Formula
C9H7NO
Molecular Weight
145.16
Precautions
H302, H317, H319
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Indole-4-carboxaldehyde

Indole-4-carbaldehyde is a heteroarenecarbaldehyde that is indole in which the hydrogen at position 4 has been replaced by a formyl group. It has a role as an algal metabolite. It is a member of indoles and a heteroarenecarbaldehyde.

CAS Number1074-86-8
PubChem CID333703
IUPAC Name1H-indole-4-carbaldehyde
Molecular FormulaC9H7NO
Molecular Weight145.16
XLogP2.2
Topological Polar Surface Area32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity158
SMILES
C1=CC(=C2C=CNC2=C1)C=O
InChI
InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-6,10H
InChIKey
JFDDFGLNZWNJTK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indole-4-carboxaldehyde
CAS: 1074-86-8
CID: 333703
Formula: C9H7NO
MW: 145.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight145.16
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass145.052763847
Monoisotopic Mass145.052763847
Topological Polar Surface Area32.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes