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126311-40-8 | Isoxazole, 5-[7-(3-dibenzofuranyloxy)heptyl]-3-methyl-
CAS No: 126311-40-8 Catalog No: AG000SJW MDL No:
Product Description
Catalog Number:
AG000SJW
Chemical Name:
Isoxazole, 5-[7-(3-dibenzofuranyloxy)heptyl]-3-methyl-
CAS Number:
126311-40-8
Molecular Formula:
C23H25NO3
Molecular Weight:
363.4495
IUPAC Name:
5-(7-dibenzofuran-3-yloxyheptyl)-3-methyl-1,2-oxazole
InChI:
InChI=1S/C23H25NO3/c1-17-15-19(27-24-17)9-5-3-2-4-8-14-25-18-12-13-21-20-10-6-7-11-22(20)26-23(21)16-18/h6-7,10-13,15-16H,2-5,8-9,14H2,1H3
InChI Key:
ALJQTEOQAHDGRG-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)CCCCCCCOc1ccc2c(c1)oc1c2cccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.183g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.457g/mol
Monoisotopic Mass:
363.183g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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