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1,2,3,4-tetrahydroquinoline-2-carboxylic acid

1,2,3,4-tetrahydroquinoline-2-carboxylic acid

CAS: 46185-24-4

Formula: C10H11NO2

SMILES: OC(=O)C1CCC2=CC=CC=C2N1

IUPAC: 1,2,3,4-tetrahydroquinoline-2-carboxylic acid

InChI: InChI=1/C10H11NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-4,9,11H,5-6H2,(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 1
Exact Mass 177.078978598
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey OSJVTYVKQNOXPP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.99
Topological Polar Surface Area 49.33
Polarizability 18.62
Ring Count 2
Rotatable Bond Count 1

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