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866157-32-6 | 4,4-dimethyl-3-(4-methylbenzenesulfonyl)-1,3-oxazolidine
CAS No: 866157-32-6 Catalog No: AG00IV37 MDL No:MFCD05669964
Product Description
Catalog Number:
AG00IV37
Chemical Name:
4,4-dimethyl-3-(4-methylbenzenesulfonyl)-1,3-oxazolidine
CAS Number:
866157-32-6
Molecular Formula:
C12H17NO3S
Molecular Weight:
255.3333
MDL Number:
MFCD05669964
IUPAC Name:
4,4-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine
InChI:
InChI=1S/C12H17NO3S/c1-10-4-6-11(7-5-10)17(14,15)13-9-16-8-12(13,2)3/h4-7H,8-9H2,1-3H3
InChI Key:
BRRJFQRHZMTDDB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1COCC1(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.332g/mol
Monoisotopic Mass:
255.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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