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197244-91-0 | Carbonic acid, (1,1-dioxidobenzo[b]thien-2-yl)methyl 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 197244-91-0 Catalog No: AG002ANZ MDL No:MFCD03095506
Product Description
Catalog Number:
AG002ANZ
Chemical Name:
Carbonic acid, (1,1-dioxidobenzo[b]thien-2-yl)methyl 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
197244-91-0
Molecular Formula:
C14H11NO7S
Molecular Weight:
337.3046
MDL Number:
MFCD03095506
IUPAC Name:
(1,1-dioxo-1-benzothiophen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
InChI:
InChI=1S/C14H11NO7S/c16-12-5-6-13(17)15(12)22-14(18)21-8-10-7-9-3-1-2-4-11(9)23(10,19)20/h1-4,7H,5-6,8H2
InChI Key:
XBVMGLSMCWWRLS-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)OCC1=Cc2c(S1(=O)=O)cccc2
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.026g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.302g/mol
Monoisotopic Mass:
337.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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