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100619-37-2 | Morpholine, 4-[2-[(phenylmethyl)sulfonyl]ethyl]-
CAS No: 100619-37-2 Catalog No: AG0002HP MDL No:
Product Description
Catalog Number:
AG0002HP
Chemical Name:
Morpholine, 4-[2-[(phenylmethyl)sulfonyl]ethyl]-
CAS Number:
100619-37-2
Molecular Formula:
C13H19NO3S
Molecular Weight:
269.3599
IUPAC Name:
4-(2-benzylsulfonylethyl)morpholine
InChI:
InChI=1S/C13H19NO3S/c15-18(16,12-13-4-2-1-3-5-13)11-8-14-6-9-17-10-7-14/h1-5H,6-12H2
InChI Key:
VAHDKWJEMQCXKU-UHFFFAOYSA-N
SMILES:
O=S(=O)(Cc1ccccc1)CCN1CCOCC1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.359g/mol
Monoisotopic Mass:
269.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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