Indole-3-Carboxyaldehyde extrapure, 99%

CAT: 0565-69447-01Size: 10 gDry Ice: NoHazardous: No

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Description

Part B

CAS Number

487-89-8

Storage Temperature

2 - 8°C

Chemical Information

Indole-3-Carboxaldehyde

Indole-3-carbaldehyde is a heteroarenecarbaldehyde that is indole in which the hydrogen at position 3 has been replaced by a formyl group. It has a role as a marine metabolite, a plant metabolite, a human xenobiotic metabolite and a bacterial metabolite. It is a member of indoles, an indole alkaloid and a heteroarenecarbaldehyde.

CAS Number	487-89-8
PubChem CID	10256
IUPAC Name	1H-indole-3-carbaldehyde
Molecular Formula	C9H7NO
Molecular Weight	145.16
XLogP	1.7
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=C2C(=C1)C(=CN2)C=O

InChI

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

InChIKey

OLNJUISKUQQNIM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 487-89-8

CID: 10256

Formula: C9H7NO

MW: 145.16

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	145.16
XLogP3	1.7
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

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Indole-3-Carboxyaldehyde extrapure, 99%

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