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115045-88-0 | Carbonic acid, 2,3-dihydro-2-oxo-6-benzothiazolyl methyl ester
CAS No: 115045-88-0 Catalog No: AG000FS7 MDL No:
Product Description
Catalog Number:
AG000FS7
Chemical Name:
Carbonic acid, 2,3-dihydro-2-oxo-6-benzothiazolyl methyl ester
CAS Number:
115045-88-0
Molecular Formula:
C9H7NO4S
Molecular Weight:
225.2212
IUPAC Name:
methyl (2-oxo-3H-1,3-benzothiazol-6-yl) carbonate
InChI:
InChI=1S/C9H7NO4S/c1-13-9(12)14-5-2-3-6-7(4-5)15-8(11)10-6/h2-4H,1H3,(H,10,11)
InChI Key:
GHIXFZXDBAJJPM-UHFFFAOYSA-N
SMILES:
COC(=O)Oc1ccc2c(c1)sc(=O)[nH]2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.218g/mol
Monoisotopic Mass:
225.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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