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828266-33-7 | 1-Butanone, 3,3-dimethyl-1-(10H-phenothiazin-10-yl)-
CAS No: 828266-33-7 Catalog No: AG004SYG MDL No:
Product Description
Catalog Number:
AG004SYG
Chemical Name:
1-Butanone, 3,3-dimethyl-1-(10H-phenothiazin-10-yl)-
CAS Number:
828266-33-7
Molecular Formula:
C18H19NOS
Molecular Weight:
297.4146
IUPAC Name:
3,3-dimethyl-1-phenothiazin-10-ylbutan-1-one
InChI:
InChI=1S/C18H19NOS/c1-18(2,3)12-17(20)19-13-8-4-6-10-15(13)21-16-11-7-5-9-14(16)19/h4-11H,12H2,1-3H3
InChI Key:
YUFOTFWBFGHMSU-UHFFFAOYSA-N
SMILES:
O=C(N1c2ccccc2Sc2c1cccc2)CC(C)(C)C
Properties
Complexity:
367
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:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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