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Naproxol

CAS No.:
26159-36-4
Catalog Number:
AG00C3TF
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
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Product Description
Catalog Number:
AG00C3TF
Chemical Name:
Naproxol
CAS Number:
26159-36-4
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
MDL Number:
MFCD28963672
IUPAC Name:
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-ol
InChI:
InChI=1S/C14H16O2/c1-10(9-15)11-3-4-13-8-14(16-2)6-5-12(13)7-11/h3-8,10,15H,9H2,1-2H3/t10-/m1/s1
InChI Key:
LTRANDSQVZFZDG-SNVBAGLBSA-N
SMILES:
OC[C@@H](c1ccc2c(c1)ccc(c2)OC)C
UNII:
33S398GAY6
NSC Number:
758618
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Skin sensitizing properties of arylalcanoic acids and their analogues. Contact dermatitis 19790901
Properties