ethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate

ethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate

CAS: 7598-91-6

Formula: C12H13NO3

SMILES: CCOC(=O)C1=C(C)NC2=CC=C(O)C=C12

IUPAC: ethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate

InChI: InChI=1S/C12H13NO3/c1-3-16-12(15)11-7(2)13-10-5-4-8(14)6-9(10)11/h4-6,13-14H,3H2,1-2H3

Composition: C (65.74%), H (5.98%), N (6.39%), O (21.89%)

Molar Mass: 219.24

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	219.089543283
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	BSNHKSUAAMJXBB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.05
Topological Polar Surface Area	62.32
Polarizability	24.16
Ring Count	2
Rotatable Bond Count	3

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