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19820-77-0 | 2-Quinolinemethanol, 2-(4-methylbenzenesulfonate)
CAS No: 19820-77-0 Catalog No: AG002BD4 MDL No:MFCD07343861
Product Description
Catalog Number:
AG002BD4
Chemical Name:
2-Quinolinemethanol, 2-(4-methylbenzenesulfonate)
CAS Number:
19820-77-0
Molecular Formula:
C17H15NO3S
Molecular Weight:
313.3709
MDL Number:
MFCD07343861
IUPAC Name:
quinolin-2-ylmethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C17H15NO3S/c1-13-6-10-16(11-7-13)22(19,20)21-12-15-9-8-14-4-2-3-5-17(14)18-15/h2-11H,12H2,1H3
InChI Key:
RSFASPXOSLVUCN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCc1ccc2c(n1)cccc2
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.077g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.371g/mol
Monoisotopic Mass:
313.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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