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7364-90-1 | Fluorescein dicaproate
CAS No: 7364-90-1 Catalog No: AG005C47 MDL No:
Product Description
Catalog Number:
AG005C47
Chemical Name:
Fluorescein dicaproate
CAS Number:
7364-90-1
Molecular Formula:
C32H32O7
Molecular Weight:
528.5923
IUPAC Name:
(6'-hexanoyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) hexanoate
InChI:
InChI=1S/C32H32O7/c1-3-5-7-13-29(33)36-21-15-17-25-27(19-21)38-28-20-22(37-30(34)14-8-6-4-2)16-18-26(28)32(25)24-12-10-9-11-23(24)31(35)39-32/h9-12,15-20H,3-8,13-14H2,1-2H3
InChI Key:
DHSNCRHSIFNRJY-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)OC(=O)CCCCC
Properties
Complexity:
823
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
528.215g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
528.601g/mol
Monoisotopic Mass:
528.215g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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