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76312-37-3 | N,N-DIETHYL-5-METHYL-2,2-DIOXO-6-PHENYL-3,4-DIHYDROOXATHIIN-4-AMINE
CAS No: 76312-37-3 Catalog No: AG0056EN MDL No:
Product Description
Catalog Number:
AG0056EN
Chemical Name:
N,N-DIETHYL-5-METHYL-2,2-DIOXO-6-PHENYL-3,4-DIHYDROOXATHIIN-4-AMINE
CAS Number:
76312-37-3
Molecular Formula:
C15H21NO3S
Molecular Weight:
295.3971
IUPAC Name:
N,N-diethyl-5-methyl-2,2-dioxo-6-phenyl-3,4-dihydrooxathiin-4-amine
InChI:
InChI=1S/C15H21NO3S/c1-4-16(5-2)14-11-20(17,18)19-15(12(14)3)13-9-7-6-8-10-13/h6-10,14H,4-5,11H2,1-3H3
InChI Key:
POTCMTXCDHWWIS-UHFFFAOYSA-N
SMILES:
CCN(C1CS(=O)(=O)OC(=C1C)c1ccccc1)CC
NSC Number:
335681
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.124g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.397g/mol
Monoisotopic Mass:
295.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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