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113889-11-5 | Morpholine, 2-methyl-, 4-methylbenzenesulfonate (1:1)
CAS No: 113889-11-5 Catalog No: AG000A0K MDL No:
Product Description
Catalog Number:
AG000A0K
Chemical Name:
Morpholine, 2-methyl-, 4-methylbenzenesulfonate (1:1)
CAS Number:
113889-11-5
Molecular Formula:
C12H19NO4S
Molecular Weight:
273.3486
IUPAC Name:
4-methylbenzenesulfonic acid;2-methylmorpholine
InChI:
InChI=1S/C7H8O3S.C5H11NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-5-4-6-2-3-7-5/h2-5H,1H3,(H,8,9,10);5-6H,2-4H2,1H3
InChI Key:
DYPDQBVRZMWLDJ-UHFFFAOYSA-N
SMILES:
CC1CNCCO1.Cc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.347g/mol
Monoisotopic Mass:
273.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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