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194302-14-2

194302-14-2 | 1,3-Dioxolo[4,5-e][1,3]thiazepine(9CI)

CAS No: 194302-14-2 Catalog No: AG0074NF MDL No:

Product Description

Catalog Number:
AG0074NF
Chemical Name:
1,3-Dioxolo[4,5-e][1,3]thiazepine(9CI)
CAS Number:
194302-14-2
Molecular Formula:
C6H5NO2S
Molecular Weight:
155.1744
IUPAC Name:
[1,3]dioxolo[4,5-e][1,3]thiazepine
InChI:
InChI=1S/C6H5NO2S/c1-5-6(9-4-8-5)2-10-3-7-1/h1-3H,4H2
InChI Key:
NPJNZIPXOUFZPX-UHFFFAOYSA-N
SMILES:
C1=NC=C2C(=CS1)OCO2

Properties

Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.004g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.171g/mol
Monoisotopic Mass:
155.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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