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35053-67-9 | 3-phenyl-5-[(phenylsulfonyl)oxy]-3ah-pyrrolo[3,4-d][1,2]oxazole-4,6(5h,6ah)-dione
CAS No: 35053-67-9 Catalog No: AG007GE3 MDL No:
Product Description
Catalog Number:
AG007GE3
Chemical Name:
3-phenyl-5-[(phenylsulfonyl)oxy]-3ah-pyrrolo[3,4-d][1,2]oxazole-4,6(5h,6ah)-dione
CAS Number:
35053-67-9
Molecular Formula:
C17H12N2O6S
Molecular Weight:
372.3520
IUPAC Name:
(4,6-dioxo-3-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl) benzenesulfonate
InChI:
InChI=1S/C17H12N2O6S/c20-16-13-14(11-7-3-1-4-8-11)18-24-15(13)17(21)19(16)25-26(22,23)12-9-5-2-6-10-12/h1-10,13,15H
InChI Key:
NNCGXINEJPMKGA-UHFFFAOYSA-N
SMILES:
O=C1C2C(C(=O)N1OS(=O)(=O)c1ccccc1)ON=C2c1ccccc1
NSC Number:
157974
Properties
Complexity:
716
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.042g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.351g/mol
Monoisotopic Mass:
372.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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