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823803-39-0 | 4-Quinolinemethanesulfonic acid, 1-ethyl-1,2-dihydro-2,2-dimethyl-
CAS No: 823803-39-0 Catalog No: AG005CWJ MDL No:
Product Description
Catalog Number:
AG005CWJ
Chemical Name:
4-Quinolinemethanesulfonic acid, 1-ethyl-1,2-dihydro-2,2-dimethyl-
CAS Number:
823803-39-0
Molecular Formula:
C14H19NO3S
Molecular Weight:
281.3706
IUPAC Name:
(1-ethyl-2,2-dimethylquinolin-4-yl)methanesulfonic acid
InChI:
InChI=1S/C14H19NO3S/c1-4-15-13-8-6-5-7-12(13)11(9-14(15,2)3)10-19(16,17)18/h5-9H,4,10H2,1-3H3,(H,16,17,18)
InChI Key:
RBGBJEGFHGGIKV-UHFFFAOYSA-N
SMILES:
CCN1c2ccccc2C(=CC1(C)C)CS(=O)(=O)O
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.37g/mol
Monoisotopic Mass:
281.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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