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Home > Other Heterocycles > 73529-70-1
73529-70-1 | 1,1'-Spirobi[1H-indene]-6,6'-diol,2,2',3,3'-tetrahydro-5,5'-diisononyl-3,3,3',3'-tetramethyl- (9CI)
CAS No: 73529-70-1 Catalog No: AG005N0V MDL No:
Product Description
Catalog Number:
AG005N0V
Chemical Name:
1,1'-Spirobi[1H-indene]-6,6'-diol,2,2',3,3'-tetrahydro-5,5'-diisononyl-3,3,3',3'-tetramethyl- (9CI)
CAS Number:
73529-70-1
Molecular Formula:
C39H60O2
Molecular Weight:
560.8925
IUPAC Name:
1,1,1',1'-tetramethyl-6,6'-bis(7-methyloctyl)-3,3'-spirobi[2H-indene]-5,5'-diol
InChI:
InChI=1S/C39H60O2/c1-27(2)17-13-9-11-15-19-29-21-31-33(23-35(29)40)39(25-37(31,5)6)26-38(7,8)32-22-30(36(41)24-34(32)39)20-16-12-10-14-18-28(3)4/h21-24,27-28,40-41H,9-20,25-26H2,1-8H3
InChI Key:
ZZWLQIMILBITLS-UHFFFAOYSA-N
SMILES:
CC(CCCCCCc1cc2c(cc1O)C1(CC2(C)C)CC(c2c1cc(O)c(c2)CCCCCCC(C)C)(C)C)C
EC Number:
277-529-0
Properties
Complexity:
729
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
560.459g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
560.907g/mol
Monoisotopic Mass:
560.459g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.4
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