2,3-dihydro-1H-indole-5-carboxylic acid

2,3-dihydro-1H-indole-5-carboxylic acid

CAS: 15861-30-0

Formula: C9H9NO2

SMILES: OC(=O)C1=CC=C2NCCC2=C1

IUPAC: 2,3-dihydro-1H-indole-5-carboxylic acid

InChI: InChI=1S/C9H9NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2,(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	0
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	DZTLKUKANGQSRN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.82
Topological Polar Surface Area	49.33
Polarizability	16.68
Ring Count	2
Rotatable Bond Count	1

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