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1171924-48-3 | 2-Methoxy-6-(quinolin-8-yloxymethyl)-benzoic acid
CAS No: 1171924-48-3 Catalog No: AG00JS5D MDL No:
Product Description
Catalog Number:
AG00JS5D
Chemical Name:
2-Methoxy-6-(quinolin-8-yloxymethyl)-benzoic acid
CAS Number:
1171924-48-3
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
IUPAC Name:
2-methoxy-6-(quinolin-8-yloxymethyl)benzoic acid
InChI:
InChI=1S/C18H15NO4/c1-22-14-8-3-6-13(16(14)18(20)21)11-23-15-9-2-5-12-7-4-10-19-17(12)15/h2-10H,11H2,1H3,(H,20,21)
InChI Key:
OHGRLOJUNJBLIA-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(=O)O)COc1cccc2c1nccc2
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.321g/mol
Monoisotopic Mass:
309.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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