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89764-86-3 | Benzene, 1-[4-methyl-4-[4-(2-propynyloxy)phenyl]pentyl]-3-phenoxy-
CAS No: 89764-86-3 Catalog No: AG0040MD MDL No:
Product Description
Catalog Number:
AG0040MD
Chemical Name:
Benzene, 1-[4-methyl-4-[4-(2-propynyloxy)phenyl]pentyl]-3-phenoxy-
CAS Number:
89764-86-3
Molecular Formula:
C27H28O2
Molecular Weight:
384.5100
IUPAC Name:
1-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]-4-prop-2-ynoxybenzene
InChI:
InChI=1S/C27H28O2/c1-4-20-28-24-17-15-23(16-18-24)27(2,3)19-9-11-22-10-8-14-26(21-22)29-25-12-6-5-7-13-25/h1,5-8,10,12-18,21H,9,11,19-20H2,2-3H3
InChI Key:
AINYROLHTNPJKB-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(cc1)C(CCCc1cccc(c1)Oc1ccccc1)(C)C
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.209g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.519g/mol
Monoisotopic Mass:
384.209g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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