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91119-38-9 | 6-ACETYL-2H-BENZO[B][1,4]THIAZIN-3(4H)-ONE
CAS No: 91119-38-9 Catalog No: AG00H0IT MDL No:MFCD08446936
Product Description
Catalog Number:
AG00H0IT
Chemical Name:
6-ACETYL-2H-BENZO[B][1,4]THIAZIN-3(4H)-ONE
CAS Number:
91119-38-9
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
MDL Number:
MFCD08446936
IUPAC Name:
6-acetyl-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C10H9NO2S/c1-6(12)7-2-3-9-8(4-7)11-10(13)5-14-9/h2-4H,5H2,1H3,(H,11,13)
InChI Key:
XAZBRXLFKCEBGC-UHFFFAOYSA-N
SMILES:
O=C1CSc2c(N1)cc(cc2)C(=O)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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