3-(5-methoxy-1H-indol-3-yl)propanoic acid

3-(5-methoxy-1H-indol-3-yl)propanoic acid

CAS: 39547-16-5

Formula: C12H13NO3

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

IUPAC: 3-(5-methoxy-1H-indol-3-yl)propanoic acid

InChI: InChI=1S/C12H13NO3/c1-16-9-3-4-11-10(6-9)8(7-13-11)2-5-12(14)15/h3-4,6-7,13H,2,5H2,1H3,(H,14,15)

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	3
Hydrogen Bond Donor Count	2
InChIKey	ZLSZCJIWILJKMR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.52
Topological Polar Surface Area	62.32
Polarizability	24.08
Ring Count	2
Rotatable Bond Count	4

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