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123724-16-3 | Benzoic acid, 4-(2-quinolinylmethoxy)-
CAS No: 123724-16-3 Catalog No: AG000L0G MDL No:MFCD11986933
Product Description
Catalog Number:
AG000L0G
Chemical Name:
Benzoic acid, 4-(2-quinolinylmethoxy)-
CAS Number:
123724-16-3
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
MDL Number:
MFCD11986933
IUPAC Name:
4-(quinolin-2-ylmethoxy)benzoic acid
InChI:
InChI=1S/C17H13NO3/c19-17(20)13-6-9-15(10-7-13)21-11-14-8-5-12-3-1-2-4-16(12)18-14/h1-10H,11H2,(H,19,20)
InChI Key:
NNJZADJXPQFKOE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)OCc1ccc2c(n1)cccc2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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