4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid

4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid

CAS: 131172-64-0

Formula: C9H11NO2

SMILES: OC(=O)C1=CC2=C(CCCC2)N1

IUPAC: 4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid

InChI: InChI=1S/C9H11NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h5,10H,1-4H2,(H,11,12)

Composition: C (65.44%), H (6.71%), N (8.48%), O (19.37%)

Molar Mass: 165.192

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	165.078978598
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	NYZDHGPFNPXPCM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.46
Topological Polar Surface Area	53.09
Polarizability	16.87
Ring Count	2
Rotatable Bond Count	1

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