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58955-84-3

58955-84-3 | 4-phenyl-2,6-dihydro-1,3,5-oxathiazine

CAS No: 58955-84-3 Catalog No: AG01BVIA MDL No:MFCD01755431

Product Description

Catalog Number:
AG01BVIA
Chemical Name:
4-phenyl-2,6-dihydro-1,3,5-oxathiazine
CAS Number:
58955-84-3
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD01755431
IUPAC Name:
4-phenyl-6H-1,3,5-oxathiazine
InChI:
InChI=1S/C9H9NOS/c1-2-4-8(5-3-1)9-10-6-11-7-12-9/h1-5H,6-7H2
InChI Key:
MRTPGSSIOAIVED-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=NCOCS1

Properties

Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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