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827319-95-9 | 2-Naphthalenecarboxylic acid, 1-hydroxy-, (1S)-1-(4-pyridinyl)ethyl ester
CAS No: 827319-95-9 Catalog No: AG004ZWI MDL No:
Product Description
Catalog Number:
AG004ZWI
Chemical Name:
2-Naphthalenecarboxylic acid, 1-hydroxy-, (1S)-1-(4-pyridinyl)ethyl ester
CAS Number:
827319-95-9
Molecular Formula:
C18H15NO3
Molecular Weight:
293.3166
IUPAC Name:
[(1S)-1-pyridin-4-ylethyl] 1-hydroxynaphthalene-2-carboxylate
InChI:
InChI=1S/C18H15NO3/c1-12(13-8-10-19-11-9-13)22-18(21)16-7-6-14-4-2-3-5-15(14)17(16)20/h2-12,20H,1H3/t12-/m0/s1
InChI Key:
KQWNBRBVBVBNNF-LBPRGKRZSA-N
SMILES:
O=C(c1ccc2c(c1O)cccc2)O[C@H](c1ccncc1)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
1
Isotope Atom Count:
0
Molecular Weight:
293.322g/mol
Monoisotopic Mass:
293.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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