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88702-14-1 | Naphth[1,2-e][1,2,3]oxathiazine, 3,3-dioxide
CAS No: 88702-14-1 Catalog No: AG0047F5 MDL No:
Product Description
Catalog Number:
AG0047F5
Chemical Name:
Naphth[1,2-e][1,2,3]oxathiazine, 3,3-dioxide
CAS Number:
88702-14-1
Molecular Formula:
C11H7NO3S
Molecular Weight:
233.2432
IUPAC Name:
benzo[f][1,2,3]benzoxathiazine 3,3-dioxide
InChI:
InChI=1S/C11H7NO3S/c13-16(14)12-7-10-9-4-2-1-3-8(9)5-6-11(10)15-16/h1-7H
InChI Key:
USQDEBIHNSZHLD-UHFFFAOYSA-N
SMILES:
O=S1(=O)N=Cc2c(O1)ccc1c2cccc1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.015g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.241g/mol
Monoisotopic Mass:
233.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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