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279678-01-2 | Benzoic acid, 3-(1,1-dioxido-2-isothiazolidinyl)-, methyl ester
CAS No: 279678-01-2 Catalog No: AG00BJ24 MDL No:
Product Description
Catalog Number:
AG00BJ24
Chemical Name:
Benzoic acid, 3-(1,1-dioxido-2-isothiazolidinyl)-, methyl ester
CAS Number:
279678-01-2
IUPAC Name:
methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
InChI:
InChI=1S/C11H13NO4S/c1-16-11(13)9-4-2-5-10(8-9)12-6-3-7-17(12,14)15/h2,4-5,8H,3,6-7H2,1H3
InChI Key:
BOTYLGBUGAMXNX-UHFFFAOYSA-N
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.288g/mol
Monoisotopic Mass:
255.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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