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179165-13-0 | Benzoic acid, 4-[3-[4-(pentyloxy)phenyl]-5-isoxazolyl]-, methyl ester
CAS No: 179165-13-0 Catalog No: AG0026U7 MDL No:
Product Description
Catalog Number:
AG0026U7
Chemical Name:
Benzoic acid, 4-[3-[4-(pentyloxy)phenyl]-5-isoxazolyl]-, methyl ester
CAS Number:
179165-13-0
Molecular Formula:
C22H23NO4
Molecular Weight:
365.4223
IUPAC Name:
methyl 4-[3-(4-pentoxyphenyl)-1,2-oxazol-5-yl]benzoate
InChI:
InChI=1S/C22H23NO4/c1-3-4-5-14-26-19-12-10-16(11-13-19)20-15-21(27-23-20)17-6-8-18(9-7-17)22(24)25-2/h6-13,15H,3-5,14H2,1-2H3
InChI Key:
GMNUNXQGSOGPAT-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)c1noc(c1)c1ccc(cc1)C(=O)OC
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.163g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.429g/mol
Monoisotopic Mass:
365.163g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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