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ethyl 1H-indole-2-carboxylate

ethyl 1H-indole-2-carboxylate

CAS: 3770-50-1

Formula: C11H11NO2

SMILES: CCOC(=O)C1=CC2=CC=CC=C2N1

IUPAC: ethyl 1H-indole-2-carboxylate

InChI: InChI=1S/C11H11NO2/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-7,12H,2H2,1H3

Composition: C (69.83%), H (5.86%), N (7.40%), O (16.91%)

Molar Mass: 189.214

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 189.078978598
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey QQXQAEWRSVZPJM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.8
Topological Polar Surface Area 42.09
Polarizability 21.81
Ring Count 2
Rotatable Bond Count 3

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