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28521-49-5 | 2-Propen-1-one, 1-(10H-phenothiazin-10-yl)-
CAS No: 28521-49-5 Catalog No: AG002VM5 MDL No:
Product Description
Catalog Number:
AG002VM5
Chemical Name:
2-Propen-1-one, 1-(10H-phenothiazin-10-yl)-
CAS Number:
28521-49-5
Molecular Formula:
C15H11NOS
Molecular Weight:
253.3189
IUPAC Name:
1-phenothiazin-10-ylprop-2-en-1-one
InChI:
InChI=1S/C15H11NOS/c1-2-15(17)16-11-7-3-5-9-13(11)18-14-10-6-4-8-12(14)16/h2-10H,1H2
InChI Key:
HKPZFOCMKOCBJT-UHFFFAOYSA-N
SMILES:
C=CC(=O)N1c2ccccc2Sc2c1cccc2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.319g/mol
Monoisotopic Mass:
253.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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