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828266-34-8 | 1-Heptanone, 1-(10H-phenothiazin-10-yl)-
CAS No: 828266-34-8 Catalog No: AG0055U7 MDL No:
Product Description
Catalog Number:
AG0055U7
Chemical Name:
1-Heptanone, 1-(10H-phenothiazin-10-yl)-
CAS Number:
828266-34-8
Molecular Formula:
C19H21NOS
Molecular Weight:
311.4411
IUPAC Name:
1-phenothiazin-10-ylheptan-1-one
InChI:
InChI=1S/C19H21NOS/c1-2-3-4-5-14-19(21)20-15-10-6-8-12-17(15)22-18-13-9-7-11-16(18)20/h6-13H,2-5,14H2,1H3
InChI Key:
PBCUSLTXSTUHBA-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)N1c2ccccc2Sc2c1cccc2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.134g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.443g/mol
Monoisotopic Mass:
311.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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