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26628-47-7 | Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, 9-(diethylamino)-
CAS No: 26628-47-7 Catalog No: AG002TVQ MDL No:
Product Description
Catalog Number:
AG002TVQ
Chemical Name:
Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, 9-(diethylamino)-
CAS Number:
26628-47-7
Molecular Formula:
C28H23NO3
Molecular Weight:
421.4871
IUPAC Name:
9'-(diethylamino)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one
InChI:
InChI=1S/C28H23NO3/c1-3-29(4-2)19-14-15-23-25(17-19)31-24-16-13-18-9-5-6-10-20(18)26(24)28(23)22-12-8-7-11-21(22)27(30)32-28/h5-17H,3-4H2,1-2H3
InChI Key:
HMNGPLGXLQFPFN-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)c2ccccc2cc1)CC
EC Number:
247-853-7
Properties
Complexity:
707
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.168g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.496g/mol
Monoisotopic Mass:
421.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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