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33209-95-9 | 3H-Phenothiazin-3-one, 9-methyl-
CAS No: 33209-95-9 Catalog No: AG007GR1 MDL No:
Product Description
Catalog Number:
AG007GR1
Chemical Name:
3H-Phenothiazin-3-one, 9-methyl-
CAS Number:
33209-95-9
Molecular Formula:
C13H9NOS
Molecular Weight:
227.2817
IUPAC Name:
9-methylphenothiazin-3-one
InChI:
InChI=1S/C13H9NOS/c1-8-3-2-4-11-13(8)14-10-6-5-9(15)7-12(10)16-11/h2-7H,1H3
InChI Key:
WEDGFIAYDBGSJY-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(c1)sc1c(n2)c(C)ccc1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.281g/mol
Monoisotopic Mass:
227.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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