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

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

CAS: 10242-01-0

Formula: C10H9NO3

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

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

InChI: InChI=1S/C10H9NO3/c1-14-6-2-3-9-7(4-6)8(5-11-9)10(12)13/h2-5,11H,1H3,(H,12,13)

Composition: C (62.82%), H (4.75%), N (7.33%), O (25.10%)

Molar Mass: 191.186

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	191.058243154
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	RVVSEZGJCOAUED-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.86
Topological Polar Surface Area	62.32
Polarizability	20.38
Ring Count	2
Rotatable Bond Count	2

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