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Indole-5-carboxaldehyde

CAT: 0572-TRC-I615010-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-I615010-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1196-69-6
Hazard Statement
No Data Available
Smiles
O=Cc1ccc2[nH]ccc2c1
Molecular Formula
C9 H7 N O
Molecular Weight
145.16
InChI
InChI=1S/C9H7NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-6,10H
Additionnal Information
IUPAC name: 1H-indole-5-carbaldehyde
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Indole-5-carboxaldehyde
CAS Number1196-69-6
PubChem CID589040
IUPAC Name1H-indole-5-carbaldehyde
Molecular FormulaC9H7NO
Molecular Weight145.16
XLogP1.8
Topological Polar Surface Area32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity158
SMILES
C1=CC2=C(C=CN2)C=C1C=O
InChI
InChI=1S/C9H7NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-6,10H
InChIKey
ADZUEEUKBYCSEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indole-5-carboxaldehyde
CAS: 1196-69-6
CID: 589040
Formula: C9H7NO
MW: 145.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.16
XLogP31.8
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

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Alternative Products

CatalogName
AR-I03030-01Indole-5-carboxaldehyde
OR10488-011H-Indole-5-carboxaldehyde
30863317Indole-5-carboxaldehyde (5-Formylindole)
I0797-77DIndole-5-carboxaldehyde (Indole-5-carbaldehyde, 1H-Indole-5-carbaldehyde)
238983-01Indole-5-carboxaldehyde 98+% (HPLC)
AB1458Indole-3-carboxaldehyde
sc-218600Indole-7-carboxaldehyde
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