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110698-53-8 | Octadecanamide,N-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)-
CAS No: 110698-53-8 Catalog No: AG01FL2Y MDL No:
Product Description
Catalog Number:
AG01FL2Y
Chemical Name:
Octadecanamide,N-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)-
CAS Number:
110698-53-8
IUPAC Name:
N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4-yl)octadecanamide
InChI:
InChI=1S/C38H47NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-35(42)39-32-19-17-18-31-36(32)37(43)45-38(31)29-23-21-27(40)25-33(29)44-34-26-28(41)22-24-30(34)38/h17-19,21-26,40-41H,2-16,20H2,1H3,(H,39,42)
InChI Key:
UGAAZLWVRFWUHF-UHFFFAOYSA-N
Properties
Complexity:
900
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
613.34g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
613.795g/mol
Monoisotopic Mass:
613.34g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.6
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