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854048-09-2 | Benzo[f]quinoline-5-sulfonicacid, 2-ethyl-1,3-dimethyl-
CAS No: 854048-09-2 Catalog No: AG008FBS MDL No:
Product Description
Catalog Number:
AG008FBS
Chemical Name:
Benzo[f]quinoline-5-sulfonicacid, 2-ethyl-1,3-dimethyl-
CAS Number:
854048-09-2
Molecular Formula:
C17H17NO3S
Molecular Weight:
315.3868
IUPAC Name:
2-ethyl-1,3-dimethylbenzo[f]quinoline-5-sulfonic acid
InChI:
InChI=1S/C17H17NO3S/c1-4-13-10(2)16-14-8-6-5-7-12(14)9-15(22(19,20)21)17(16)18-11(13)3/h5-9H,4H2,1-3H3,(H,19,20,21)
InChI Key:
GHHRLIPIGHCBDD-UHFFFAOYSA-N
SMILES:
CCc1c(C)nc2c(c1C)c1ccccc1cc2S(=O)(=O)O
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.387g/mol
Monoisotopic Mass:
315.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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