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403610-12-8 | 10H-Phenothiazine-3,7-dicarboxaldehyde, 10-(2-ethylhexyl)-
CAS No: 403610-12-8 Catalog No: AG0073DC MDL No:
Product Description
Catalog Number:
AG0073DC
Chemical Name:
10H-Phenothiazine-3,7-dicarboxaldehyde, 10-(2-ethylhexyl)-
CAS Number:
403610-12-8
Molecular Formula:
C22H25NO2S
Molecular Weight:
367.5044
IUPAC Name:
10-(2-ethylhexyl)phenothiazine-3,7-dicarbaldehyde
InChI:
InChI=1S/C22H25NO2S/c1-3-5-6-16(4-2)13-23-19-9-7-17(14-24)11-21(19)26-22-12-18(15-25)8-10-20(22)23/h7-12,14-16H,3-6,13H2,1-2H3
InChI Key:
QRJDUVNCYIKAJM-UHFFFAOYSA-N
SMILES:
CCCCC(CN1c2ccc(cc2Sc2c1ccc(c2)C=O)C=O)CC
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.161g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.507g/mol
Monoisotopic Mass:
367.161g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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