methyl 1H-indole-7-carboxylate

methyl 1H-indole-7-carboxylate

CAS: 93247-78-0

Formula: C10H9NO2

SMILES: COC(=O)C1=C2NC=CC2=CC=C1

IUPAC: methyl 1H-indole-7-carboxylate

InChI: InChI=1S/C10H9NO2/c1-13-10(12)8-4-2-3-7-5-6-11-9(7)8/h2-6,11H,1H3

Composition: C (68.56%), H (5.18%), N (8.00%), O (18.27%)

Molar Mass: 175.187

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	175.063328534
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	FTLOEULOTNVCGF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.17
Topological Polar Surface Area	42.09
Polarizability	19.96
Ring Count	2
Rotatable Bond Count	2

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