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192378-98-6 | 9H-Xanthene, 2,7-bis(1,1-dimethylethyl)-4,5,9,9-tetramethyl-
CAS No: 192378-98-6 Catalog No: AG002FW2 MDL No:
Product Description
Catalog Number:
AG002FW2
Chemical Name:
9H-Xanthene, 2,7-bis(1,1-dimethylethyl)-4,5,9,9-tetramethyl-
CAS Number:
192378-98-6
Molecular Formula:
C25H34O
Molecular Weight:
350.5369
IUPAC Name:
2,7-ditert-butyl-4,5,9,9-tetramethylxanthene
InChI:
InChI=1S/C25H34O/c1-15-11-17(23(3,4)5)13-19-21(15)26-22-16(2)12-18(24(6,7)8)14-20(22)25(19,9)10/h11-14H,1-10H3
InChI Key:
TUAGIHSKYDZXDO-UHFFFAOYSA-N
SMILES:
Cc1cc(cc2c1Oc1c(C)cc(cc1C2(C)C)C(C)(C)C)C(C)(C)C
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.261g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.546g/mol
Monoisotopic Mass:
350.261g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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