2,3-dihydro-1H-indole-3-carboxylic acid

2,3-dihydro-1H-indole-3-carboxylic acid

CAS: 39891-70-8

Formula: C9H9NO2

SMILES: OC(=O)C1CNC2=C1C=CC=C2

IUPAC: 2,3-dihydro-1H-indole-3-carboxylic acid

InChI: InChI=1/C9H9NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-4,7,10H,5H2,(H,11,12)

Composition: C (66.25%), H (5.56%), N (8.58%), O (19.61%)

Molar Mass: 163.176

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	163.063328534
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	RXHBTEVUVWXEBO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.65
Topological Polar Surface Area	49.33
Polarizability	16.78
Ring Count	2
Rotatable Bond Count	1

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