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919751-89-6 | 1-(2-ethyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-3-yl)ethanone
CAS No: 919751-89-6 Catalog No: AG00J9EX MDL No:MFCD08747170
Product Description
Catalog Number:
AG00J9EX
Chemical Name:
1-(2-ethyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-3-yl)ethanone
CAS Number:
919751-89-6
Molecular Formula:
C12H13NO4S
Molecular Weight:
267.3009
MDL Number:
MFCD08747170
IUPAC Name:
1-(2-ethyl-4-hydroxy-1,1-dioxo-1λ6,2-benzothiazin-3-yl)ethanone
InChI:
InChI=1S/C12H13NO4S/c1-3-13-11(8(2)14)12(15)9-6-4-5-7-10(9)18(13,16)17/h4-7,15H,3H2,1-2H3
InChI Key:
LRHMRKQEBZKXKQ-UHFFFAOYSA-N
SMILES:
CCN1C(=C(O)c2c(S1(=O)=O)cccc2)C(=O)C
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.299g/mol
Monoisotopic Mass:
267.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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