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848474-30-6 | Benzenemethanol, 4-(9-anthracenyl)-3,5-bis(hexyloxy)-
CAS No: 848474-30-6 Catalog No: AG004WOS MDL No:
Product Description
Catalog Number:
AG004WOS
Chemical Name:
Benzenemethanol, 4-(9-anthracenyl)-3,5-bis(hexyloxy)-
CAS Number:
848474-30-6
Molecular Formula:
C33H40O3
Molecular Weight:
484.6689
IUPAC Name:
(4-anthracen-9-yl-3,5-dihexoxyphenyl)methanol
InChI:
InChI=1S/C33H40O3/c1-3-5-7-13-19-35-30-21-25(24-34)22-31(36-20-14-8-6-4-2)33(30)32-28-17-11-9-15-26(28)23-27-16-10-12-18-29(27)32/h9-12,15-18,21-23,34H,3-8,13-14,19-20,24H2,1-2H3
InChI Key:
ZOZJYPIEHYUJHJ-UHFFFAOYSA-N
SMILES:
CCCCCCOc1cc(CO)cc(c1c1c2ccccc2cc2c1cccc2)OCCCCCC
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.298g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
484.68g/mol
Monoisotopic Mass:
484.298g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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