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Home > Aldehydes > 887652-16-6
887652-16-6 | 10H-Phenothiazine-3,7-dicarboxaldehyde, 10-octyl-
CAS No: 887652-16-6 Catalog No: AG004B91 MDL No:
Product Description
Catalog Number:
AG004B91
Chemical Name:
10H-Phenothiazine-3,7-dicarboxaldehyde, 10-octyl-
CAS Number:
887652-16-6
Molecular Formula:
C22H25NO2S
Molecular Weight:
367.5044
IUPAC Name:
10-octylphenothiazine-3,7-dicarbaldehyde
InChI:
InChI=1S/C22H25NO2S/c1-2-3-4-5-6-7-12-23-19-10-8-17(15-24)13-21(19)26-22-14-18(16-25)9-11-20(22)23/h8-11,13-16H,2-7,12H2,1H3
InChI Key:
PBTVRTQXVQYIOL-UHFFFAOYSA-N
SMILES:
CCCCCCCCN1c2ccc(cc2Sc2c1ccc(c2)C=O)C=O
Properties
Complexity:
425
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:
9
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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