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140866-44-0 | Isoxazole, 3,5-bis[4-(5-hexen-1-yloxy)phenyl]-
CAS No: 140866-44-0 Catalog No: AG001CX0 MDL No:
Product Description
Catalog Number:
AG001CX0
Chemical Name:
Isoxazole, 3,5-bis[4-(5-hexen-1-yloxy)phenyl]-
CAS Number:
140866-44-0
Molecular Formula:
C27H31NO3
Molecular Weight:
417.5399
IUPAC Name:
3,5-bis(4-hex-5-enoxyphenyl)-1,2-oxazole
InChI:
InChI=1S/C27H31NO3/c1-3-5-7-9-19-29-24-15-11-22(12-16-24)26-21-27(31-28-26)23-13-17-25(18-14-23)30-20-10-8-6-4-2/h3-4,11-18,21H,1-2,5-10,19-20H2
InChI Key:
ABUVQEJIJMRPCJ-UHFFFAOYSA-N
SMILES:
C=CCCCCOc1ccc(cc1)c1onc(c1)c1ccc(cc1)OCCCCC=C
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.23g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
417.549g/mol
Monoisotopic Mass:
417.23g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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