3-(carboxymethyl)-1H-indole-2-carboxylic acid

3-(carboxymethyl)-1H-indole-2-carboxylic acid

CAS: 31529-27-8

Formula: C11H9NO4

SMILES: OC(=O)CC1=C(NC2=CC=CC=C12)C(O)=O

IUPAC: 3-(carboxymethyl)-1H-indole-2-carboxylic acid

InChI: InChI=1S/C11H9NO4/c13-9(14)5-7-6-3-1-2-4-8(6)12-10(7)11(15)16/h1-4,12H,5H2,(H,13,14)(H,15,16)

Composition: C (60.28%), H (4.14%), N (6.39%), O (29.20%)

Molar Mass: 219.196

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	219.053157774
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	CRMJDDJAUJZUDJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.59
Topological Polar Surface Area	90.39
Polarizability	22.08
Ring Count	2
Rotatable Bond Count	3

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