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85391-02-2 | 9-(Dibutylamino)spiro(12H-benzo(a)xanthene-12,1(3H)-isobenzofuran)-3-one
CAS No: 85391-02-2 Catalog No: AG004TMV MDL No:
Product Description
Catalog Number:
AG004TMV
Chemical Name:
9-(Dibutylamino)spiro(12H-benzo(a)xanthene-12,1(3H)-isobenzofuran)-3-one
CAS Number:
85391-02-2
Molecular Formula:
C32H31NO3
Molecular Weight:
477.5934
IUPAC Name:
9'-(dibutylamino)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one
InChI:
InChI=1S/C32H31NO3/c1-3-5-19-33(20-6-4-2)23-16-17-27-29(21-23)35-28-18-15-22-11-7-8-12-24(22)30(28)32(27)26-14-10-9-13-25(26)31(34)36-32/h7-18,21H,3-6,19-20H2,1-2H3
InChI Key:
PJHKDRUZMMAVQZ-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)c2ccccc2cc1)CCCC
EC Number:
286-754-3
Properties
Complexity:
763
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.23g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
477.604g/mol
Monoisotopic Mass:
477.23g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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