5,6,7,8-tetrahydroquinoline-3-carboxylic acid

5,6,7,8-tetrahydroquinoline-3-carboxylic acid

CAS: 82345-76-4

Formula: C10H11NO2

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

IUPAC: 5,6,7,8-tetrahydroquinoline-3-carboxylic acid

InChI: InChI=1S/C10H11NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h5-6H,1-4H2,(H,12,13)

Composition: C (67.78%), H (6.26%), N (7.90%), O (18.06%)

Molar Mass: 177.203

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	177.078978598
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CGCBJIIKIYQYAQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.22
Topological Polar Surface Area	50.19
Polarizability	18.25
Ring Count	2
Rotatable Bond Count	1

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