Related Searches: 5-Methoxyindole-3-carboxaldehyde, 5-Methoxyindole, Indole-3-carboxaldehyde, 3-cyclohexene-1-carboxaldehyde, 2-Butyl-5-chloro-1H-imidazole-4-carboxaldehyde, View all

5-Methoxyindole-3-carboxaldehyde(CAS No. 10601-19-1)

5-Methoxyindole-3-carboxaldehyde C10H9NO2 (cas 10601-19-1) Molecular Structure

10601-19-1 Structure

Identification and Related Records

【Name】
5-Methoxyindole-3-carboxaldehyde
【CAS Registry number】
10601-19-1
【Synonyms】
5-Methoxyindole-3-carbaldehyde
5-Methoxyindole-3-formaldehyde
5-Benzyloxyindole-3- carboxaldehyde
5-Methoxyindole-3-carboxyaldehyde
5-Benzyloxyindole-3-carboxaldehyde
5-Methoxyindole-3-aldehyde
1H-indole-3-carboxaldehyde, 5-methoxy-
5-Methoxy-1H-indole-3-carboxaldehyde
5-methoxy-1H-indole-3-carbaldehyde
5-Methoxyindole-3-Carboxaldehyde 98%
【EINECS(EC#)】
234-220-5
【Molecular Formula】
C10H9NO2 (Products with the same molecular formula)
【Molecular Weight】
175.19
【Inchi】
InChI=1/C10H9NO2/c1-13-8-2-3-10-9(4-8)7(6-12)5-11-10/h2-6,11H,1H3
【Canonical SMILES】
COC1=CC2=C(C=C1)NC=C2C=O
【MOL File】
10601-19-1.mol

Chemical and Physical Properties

【Appearance】
Light yellow crystals
【Density】
1.273 g/cm3
【Melting Point】
180-184℃
【Boiling Point】
375.2 °C at 760 mmHg
【Vapour】
7.89E-06mmHg at 25°C
【Refractive Index】
1.679
【Flash Point】
180.7 °C 1.273 g/cm3
【Water】
insoluble
【Solubilities】
insoluble in water
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:175.18396 [g/mol]
Molecular Formula:C10H9NO2
XLogP3:1.7
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:2
Tautomer Count:3
Exact Mass:175.063329
MonoIsotopic Mass:175.063329
Topological Polar Surface Area:42.1
Heavy Atom Count:13
Formal Charge:0
Complexity:195
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
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【HazardClass】
IRRITANT, AIR SENSITIVE
【Sensitive】
Air Sensitive

Supplier Location

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