5-ethoxy-1H-indole-3-carbaldehyde

5-ethoxy-1H-indole-3-carbaldehyde

CAS: 169789-47-3

Formula: C11H11NO2

SMILES: CCOC1=CC=C2NC=C(C=O)C2=C1

IUPAC: 5-ethoxy-1H-indole-3-carbaldehyde

InChI: InChI=1S/C11H11NO2/c1-2-14-9-3-4-11-10(5-9)8(7-13)6-12-11/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	2
Hydrogen Bond Donor Count	1
InChIKey	MSEZSIQZGXBEDM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.94
Topological Polar Surface Area	42.09
Polarizability	21.8
Ring Count	2
Rotatable Bond Count	3

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