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87687-01-2 | 3H-Phenoxazin-3-one, 7-(octyloxy)-
CAS No: 87687-01-2 Catalog No: AG004GXN MDL No:
Product Description
Catalog Number:
AG004GXN
Chemical Name:
3H-Phenoxazin-3-one, 7-(octyloxy)-
CAS Number:
87687-01-2
Molecular Formula:
C20H23NO3
Molecular Weight:
325.4015
IUPAC Name:
7-octoxyphenoxazin-3-one
InChI:
InChI=1S/C20H23NO3/c1-2-3-4-5-6-7-12-23-16-9-11-18-20(14-16)24-19-13-15(22)8-10-17(19)21-18/h8-11,13-14H,2-7,12H2,1H3
InChI Key:
CCCMSMBZIYHHJD-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc2c(c1)oc1c(n2)ccc(=O)c1
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.408g/mol
Monoisotopic Mass:
325.168g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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