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13732-62-2 | Morpholine, 4-methylbenzenesulfonate (1:1)
CAS No: 13732-62-2 Catalog No: AG001347 MDL No:MFCD00072580
Product Description
Catalog Number:
AG001347
Chemical Name:
Morpholine, 4-methylbenzenesulfonate (1:1)
CAS Number:
13732-62-2
Molecular Formula:
C11H17NO4S
Molecular Weight:
259.3220
MDL Number:
MFCD00072580
IUPAC Name:
4-methylbenzenesulfonic acid;morpholine
InChI:
InChI=1S/C7H8O3S.C4H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-6-4-2-5-1/h2-5H,1H3,(H,8,9,10);5H,1-4H2
InChI Key:
LYWVNPSVLAFTFX-UHFFFAOYSA-N
SMILES:
C1CNCCO1.Cc1ccc(cc1)S(=O)(=O)O
EC Number:
237-301-3
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.088g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.32g/mol
Monoisotopic Mass:
259.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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