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192565-10-9 | 1,1'-Biphenyl, 4-(pentyloxy)-4'-[[4-(2-propen-1-yloxy)phenyl]methoxy]-
CAS No: 192565-10-9 Catalog No: AG002G3L MDL No:
Product Description
Catalog Number:
AG002G3L
Chemical Name:
1,1'-Biphenyl, 4-(pentyloxy)-4'-[[4-(2-propen-1-yloxy)phenyl]methoxy]-
CAS Number:
192565-10-9
Molecular Formula:
C27H30O3
Molecular Weight:
402.5253
IUPAC Name:
1-(4-pentoxyphenyl)-4-[(4-prop-2-enoxyphenyl)methoxy]benzene
InChI:
InChI=1S/C27H30O3/c1-3-5-6-20-29-26-15-9-23(10-16-26)24-11-17-27(18-12-24)30-21-22-7-13-25(14-8-22)28-19-4-2/h4,7-18H,2-3,5-6,19-21H2,1H3
InChI Key:
OVGDBXAZENFSFQ-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)c1ccc(cc1)OCc1ccc(cc1)OCC=C
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.219g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.534g/mol
Monoisotopic Mass:
402.219g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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