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828266-29-1 | 1-Butanone, 3-methyl-1-(10H-phenothiazin-10-yl)-
CAS No: 828266-29-1 Catalog No: AG0055U9 MDL No:
Product Description
Catalog Number:
AG0055U9
Chemical Name:
1-Butanone, 3-methyl-1-(10H-phenothiazin-10-yl)-
CAS Number:
828266-29-1
Molecular Formula:
C17H17NOS
Molecular Weight:
283.3880
IUPAC Name:
3-methyl-1-phenothiazin-10-ylbutan-1-one
InChI:
InChI=1S/C17H17NOS/c1-12(2)11-17(19)18-13-7-3-5-9-15(13)20-16-10-6-4-8-14(16)18/h3-10,12H,11H2,1-2H3
InChI Key:
OCJFUPLSTZNULS-UHFFFAOYSA-N
SMILES:
CC(CC(=O)N1c2ccccc2Sc2c1cccc2)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.389g/mol
Monoisotopic Mass:
283.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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