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Home > Aldehydes > 262426-58-4
262426-58-4 | 2H-1,4-Benzothiazine-6-carboxaldehyde, 3,4-dihydro-3-oxo-
CAS No: 262426-58-4 Catalog No: AG002SFB MDL No:MFCD20528006
Product Description
Catalog Number:
AG002SFB
Chemical Name:
2H-1,4-Benzothiazine-6-carboxaldehyde, 3,4-dihydro-3-oxo-
CAS Number:
262426-58-4
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
MDL Number:
MFCD20528006
IUPAC Name:
3-oxo-4H-1,4-benzothiazine-6-carbaldehyde
InChI:
InChI=1S/C9H7NO2S/c11-4-6-1-2-8-7(3-6)10-9(12)5-13-8/h1-4H,5H2,(H,10,12)
InChI Key:
GBOGHJYGGDERQX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)NC(=O)CS2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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