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75903-72-9 | 4-Quinolinemethanesulfonic acid, 1,2-dihydro-2,2-dimethyl-
CAS No: 75903-72-9 Catalog No: AG00598A MDL No:
Product Description
Catalog Number:
AG00598A
Chemical Name:
4-Quinolinemethanesulfonic acid, 1,2-dihydro-2,2-dimethyl-
CAS Number:
75903-72-9
Molecular Formula:
C12H15NO3S
Molecular Weight:
253.3174
IUPAC Name:
(2,2-dimethyl-1H-quinolin-4-yl)methanesulfonic acid
InChI:
InChI=1S/C12H15NO3S/c1-12(2)7-9(8-17(14,15)16)10-5-3-4-6-11(10)13-12/h3-7,13H,8H2,1-2H3,(H,14,15,16)
InChI Key:
GUNHIIHGOPJGMO-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)CC1=CC(C)(C)Nc2c1cccc2
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.316g/mol
Monoisotopic Mass:
253.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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