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50971-94-3 | 2-Acetyl-10H-phenothiazine-10-propanenitrile
CAS No: 50971-94-3 Catalog No: AG00DF5I MDL No:
Product Description
Catalog Number:
AG00DF5I
Chemical Name:
2-Acetyl-10H-phenothiazine-10-propanenitrile
CAS Number:
50971-94-3
IUPAC Name:
3-(2-acetylphenothiazin-10-yl)propanenitrile
InChI:
InChI=1S/C17H14N2OS/c1-12(20)13-7-8-17-15(11-13)19(10-4-9-18)14-5-2-3-6-16(14)21-17/h2-3,5-8,11H,4,10H2,1H3
InChI Key:
KANRVGIOTAKVQH-UHFFFAOYSA-N
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.372g/mol
Monoisotopic Mass:
294.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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