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91578-48-2 | 3H-Phenothiazin-3-one, 7-methoxy-
CAS No: 91578-48-2 Catalog No: AG006THH MDL No:
Product Description
Catalog Number:
AG006THH
Chemical Name:
3H-Phenothiazin-3-one, 7-methoxy-
CAS Number:
91578-48-2
Molecular Formula:
C13H9NO2S
Molecular Weight:
243.2811
IUPAC Name:
7-methoxyphenothiazin-3-one
InChI:
InChI=1S/C13H9NO2S/c1-16-9-3-5-11-13(7-9)17-12-6-8(15)2-4-10(12)14-11/h2-7H,1H3
InChI Key:
HRXISCIYFRBLPH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc1c(n2)ccc(=O)c1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.28g/mol
Monoisotopic Mass:
243.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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