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80632-54-8 | 10-ACETYL-2-PROPIONYL-10H-PHENOTHIAZINE
CAS No: 80632-54-8 Catalog No: AG0058XO MDL No:
Product Description
Catalog Number:
AG0058XO
Chemical Name:
10-ACETYL-2-PROPIONYL-10H-PHENOTHIAZINE
CAS Number:
80632-54-8
Molecular Formula:
C17H15NO2S
Molecular Weight:
297.3715
IUPAC Name:
1-(10-acetylphenothiazin-2-yl)propan-1-one
InChI:
InChI=1S/C17H15NO2S/c1-3-15(20)12-8-9-17-14(10-12)18(11(2)19)13-6-4-5-7-16(13)21-17/h4-10H,3H2,1-2H3
InChI Key:
JWKIQDFPIATNFP-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc2c(c1)N(C(=O)C)c1c(S2)cccc1
EC Number:
279-520-7
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.082g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.372g/mol
Monoisotopic Mass:
297.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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