5-methoxy-2-methyl-1H-indole-3-carboxylic acid

5-methoxy-2-methyl-1H-indole-3-carboxylic acid

CAS: 32387-22-7

Formula: C11H11NO3

SMILES: COC1=CC=C2NC(C)=C(C(O)=O)C2=C1

IUPAC: 5-methoxy-2-methyl-1H-indole-3-carboxylic acid

InChI: InChI=1S/C11H11NO3/c1-6-10(11(13)14)8-5-7(15-2)3-4-9(8)12-6/h3-5,12H,1-2H3,(H,13,14)

Composition: C (64.38%), H (5.40%), N (6.83%), O (23.39%)

Molar Mass: 205.213

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	205.073893218
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ORUFFPUSVXGKCC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.01
Topological Polar Surface Area	62.32
Polarizability	22.14
Ring Count	2
Rotatable Bond Count	2

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