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6622-75-9 | 10-propionylphenothiazine
CAS No: 6622-75-9 Catalog No: AG00FDCD MDL No:
Product Description
Catalog Number:
AG00FDCD
Chemical Name:
10-propionylphenothiazine
CAS Number:
6622-75-9
Molecular Formula:
C15H13NOS
Molecular Weight:
255.3348
IUPAC Name:
1-phenothiazin-10-ylpropan-1-one
InChI:
InChI=1S/C15H13NOS/c1-2-15(17)16-11-7-3-5-9-13(11)18-14-10-6-4-8-12(14)16/h3-10H,2H2,1H3
InChI Key:
NCDUBBOHHQXHIQ-UHFFFAOYSA-N
SMILES:
CCC(=O)N1c2ccccc2Sc2c1cccc2
EC Number:
229-574-2
NSC Number:
55093
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.335g/mol
Monoisotopic Mass:
255.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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