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63170-37-6 | Benzoic acid, 2-(tetrahydro-1,1-dioxido-2H-1,2-thiazin-2-yl)-
CAS No: 63170-37-6 Catalog No: AG00IB5U MDL No:MFCD09832484
Product Description
Catalog Number:
AG00IB5U
Chemical Name:
Benzoic acid, 2-(tetrahydro-1,1-dioxido-2H-1,2-thiazin-2-yl)-
CAS Number:
63170-37-6
Molecular Formula:
C11H13NO4S
Molecular Weight:
255.2902
MDL Number:
MFCD09832484
IUPAC Name:
2-(1,1-dioxothiazinan-2-yl)benzoic acid
InChI:
InChI=1S/C11H13NO4S/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-17(12,15)16/h1-2,5-6H,3-4,7-8H2,(H,13,14)
InChI Key:
TWGHPFNNZIONQR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1N1CCCCS1(=O)=O
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:
1
Isotope Atom Count:
0
Molecular Weight:
255.288g/mol
Monoisotopic Mass:
255.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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