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139640-31-6 | 1,5-Pentanediol, 3-(hydroxymethyl)-1,1,5,5-tetraphenyl-
CAS No: 139640-31-6 Catalog No: AG001BFS MDL No:
Product Description
Catalog Number:
AG001BFS
Chemical Name:
1,5-Pentanediol, 3-(hydroxymethyl)-1,1,5,5-tetraphenyl-
CAS Number:
139640-31-6
Molecular Formula:
C30H30O3
Molecular Weight:
438.5574
IUPAC Name:
3-(hydroxymethyl)-1,1,5,5-tetraphenylpentane-1,5-diol
InChI:
InChI=1S/C30H30O3/c31-23-24(21-29(32,25-13-5-1-6-14-25)26-15-7-2-8-16-26)22-30(33,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,24,31-33H,21-23H2
InChI Key:
RGXJKHCDNCXVJJ-UHFFFAOYSA-N
SMILES:
OCC(CC(c1ccccc1)(c1ccccc1)O)CC(c1ccccc1)(c1ccccc1)O
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.219g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
438.567g/mol
Monoisotopic Mass:
438.219g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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