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343944-90-1 | 5-methanesulfonyl-1,2,3,4-tetrahydroquinoline
CAS No: 343944-90-1 Catalog No: AG01A8XC MDL No:MFCD16547580
Product Description
Catalog Number:
AG01A8XC
Chemical Name:
5-methanesulfonyl-1,2,3,4-tetrahydroquinoline
CAS Number:
343944-90-1
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD16547580
IUPAC Name:
5-methylsulfonyl-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C10H13NO2S/c1-14(12,13)10-6-2-5-9-8(10)4-3-7-11-9/h2,5-6,11H,3-4,7H2,1H3
InChI Key:
VGZQOVHPVJSTCE-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1cccc2c1CCCN2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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