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149326-03-4 | Benzoic acid, 4-(4-quinolinylmethoxy)-, methyl ester
CAS No: 149326-03-4 Catalog No: AG001LKM MDL No:
Product Description
Catalog Number:
AG001LKM
Chemical Name:
Benzoic acid, 4-(4-quinolinylmethoxy)-, methyl ester
CAS Number:
149326-03-4
Molecular Formula:
C18H15NO3
Molecular Weight:
293.3166
IUPAC Name:
methyl 4-(quinolin-4-ylmethoxy)benzoate
InChI:
InChI=1S/C18H15NO3/c1-21-18(20)13-6-8-15(9-7-13)22-12-14-10-11-19-17-5-3-2-4-16(14)17/h2-11H,12H2,1H3
InChI Key:
BLYXCONPYLMKTJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)OCc1ccnc2c1cccc2
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.322g/mol
Monoisotopic Mass:
293.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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