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3-methoxy-1H-indole

3-methoxy-1H-indole

CAS: 16712-55-3

Formula: C9H9NO

SMILES: COC1=CNC2=CC=CC=C12

IUPAC: 3-methoxy-1H-indole

InChI: InChI=1S/C9H9NO/c1-11-9-6-10-8-5-3-2-4-7(8)9/h2-6,10H,1H3

Composition: C (73.45%), H (6.16%), N (9.52%), O (10.87%)

Molar Mass: 147.177

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 147.068413914
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey CKDZUORTXOCQNI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.61
Topological Polar Surface Area 25.02
Polarizability 18.11
Ring Count 2
Rotatable Bond Count 1

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