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Home > Other Heterocycles > 89121-26-6
89121-26-6 | 1,1'-Spirobi[1H-indene], 2,3-dihydro-2,2'-dimethyl-3'-phenyl-
CAS No: 89121-26-6 Catalog No: AG003YB7 MDL No:
Product Description
Catalog Number:
AG003YB7
Chemical Name:
1,1'-Spirobi[1H-indene], 2,3-dihydro-2,2'-dimethyl-3'-phenyl-
CAS Number:
89121-26-6
Molecular Formula:
C25H22
Molecular Weight:
322.4422
IUPAC Name:
2,2'-dimethyl-3'-phenylspiro[1,2-dihydroindene-3,1'-indene]
InChI:
InChI=1S/C25H22/c1-17-16-20-12-6-8-14-22(20)25(17)18(2)24(19-10-4-3-5-11-19)21-13-7-9-15-23(21)25/h3-15,17H,16H2,1-2H3
InChI Key:
XINMASCWFPFOHA-UHFFFAOYSA-N
SMILES:
CC1Cc2c(C31c1ccccc1C(=C3C)c1ccccc1)cccc2
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.172g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.451g/mol
Monoisotopic Mass:
322.172g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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