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828266-31-5 | 1-Hexanone, 1-(10H-phenothiazin-10-yl)-
CAS No: 828266-31-5 Catalog No: AG0055U8 MDL No:
Product Description
Catalog Number:
AG0055U8
Chemical Name:
1-Hexanone, 1-(10H-phenothiazin-10-yl)-
CAS Number:
828266-31-5
Molecular Formula:
C18H19NOS
Molecular Weight:
297.4146
IUPAC Name:
1-phenothiazin-10-ylhexan-1-one
InChI:
InChI=1S/C18H19NOS/c1-2-3-4-13-18(20)19-14-9-5-7-11-16(14)21-17-12-8-6-10-15(17)19/h5-12H,2-4,13H2,1H3
InChI Key:
JSCCEBXYGUUNHY-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)N1c2ccccc2Sc2c1cccc2
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.416g/mol
Monoisotopic Mass:
297.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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