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1820717-22-3 | Morpholine-2-carbonitrile 4-methylbenzenesulfonate
CAS No: 1820717-22-3 Catalog No: AG01FMI9 MDL No:MFCD29037851
Product Description
Catalog Number:
AG01FMI9
Chemical Name:
Morpholine-2-carbonitrile 4-methylbenzenesulfonate
CAS Number:
1820717-22-3
Molecular Formula:
C12H16N2O4S
Molecular Weight:
284.3314
MDL Number:
MFCD29037851
IUPAC Name:
4-methylbenzenesulfonic acid;morpholine-2-carbonitrile
InChI:
InChI=1S/C7H8O3S.C5H8N2O/c1-6-2-4-7(5-3-6)11(8,9)10;6-3-5-4-7-1-2-8-5/h2-5H,1H3,(H,8,9,10);5,7H,1-2,4H2
InChI Key:
ITGYILYLRHEVAV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.N#CC1OCCNC1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.33g/mol
Monoisotopic Mass:
284.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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