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6937-82-2 | 5h-naphtho[2,3-c]phenothiazine-8,13-dione
CAS No: 6937-82-2 Catalog No: AG005MU8 MDL No:
Product Description
Catalog Number:
AG005MU8
Chemical Name:
5h-naphtho[2,3-c]phenothiazine-8,13-dione
CAS Number:
6937-82-2
Molecular Formula:
C20H11NO2S
Molecular Weight:
329.3718
IUPAC Name:
5H-naphtho[2,3-c]phenothiazine-8,13-dione
InChI:
InChI=1S/C20H11NO2S/c22-18-11-5-1-2-6-12(11)19(23)17-13(18)9-10-15-20(17)24-16-8-4-3-7-14(16)21-15/h1-10,21H
InChI Key:
RSCAZJBRAXOOMM-UHFFFAOYSA-N
SMILES:
O=c1c2c3sc4ccccc4[nH]c3ccc2c(=O)c2c1cccc2
NSC Number:
39953
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.051g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.373g/mol
Monoisotopic Mass:
329.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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