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179162-64-2 | Benzoic acid, 4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]-, methyl ester
CAS No: 179162-64-2 Catalog No: AG0026U8 MDL No:MFCD17014817
Product Description
Catalog Number:
AG0026U8
Chemical Name:
Benzoic acid, 4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]-, methyl ester
CAS Number:
179162-64-2
Molecular Formula:
C22H23NO4
Molecular Weight:
365.4223
MDL Number:
MFCD17014817
IUPAC Name:
methyl 4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoate
InChI:
InChI=1S/C22H23NO4/c1-3-4-5-14-26-19-12-10-17(11-13-19)21-15-20(23-27-21)16-6-8-18(9-7-16)22(24)25-2/h6-13,15H,3-5,14H2,1-2H3
InChI Key:
JLCLOAYOQLRDSK-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)c1onc(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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