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isoquinoline-6-carboxylic acid

isoquinoline-6-carboxylic acid

CAS: 106778-43-2

Formula: C10H7NO2

SMILES: OC(=O)C1=CC2=CC=NC=C2C=C1

IUPAC: isoquinoline-6-carboxylic acid

InChI: InChI=1S/C10H7NO2/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8/h1-6H,(H,12,13)

Composition: C (69.36%), H (4.07%), N (8.09%), O (18.48%)

Molar Mass: 173.171

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 173.047678469
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ADAHADRJWVCICR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.61
Topological Polar Surface Area 50.19
Polarizability 19.26
Ring Count 2
Rotatable Bond Count 1

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