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2-methylquinoline-6-sulfonic acid

2-methylquinoline-6-sulfonic acid

CAS: 93805-05-1

Formula: C10H9NO3S

SMILES: CC1=NC2=CC=C(C=C2C=C1)S(O)(=O)=O

IUPAC: 2-methylquinoline-6-sulfonic acid

InChI: InChI=1S/C10H9NO3S/c1-7-2-3-8-6-9(15(12,13)14)4-5-10(8)11-7/h2-6H,1H3,(H,12,13,14)

Composition: C (53.80%), H (4.06%), N (6.27%), O (21.50%), S (14.36%)

Molar Mass: 223.25

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 223.030314328
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey WTVFVAWTGKJRPC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.19
Topological Polar Surface Area 67.26
Polarizability 23.28
Ring Count 2
Rotatable Bond Count 1

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