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1354937-63-5 | 3-(naphthalen-1-yl)-1,2-oxazol-5-ol
CAS No: 1354937-63-5 Catalog No: AG00JSRM MDL No:MFCD21334957
Product Description
Catalog Number:
AG00JSRM
Chemical Name:
3-(naphthalen-1-yl)-1,2-oxazol-5-ol
CAS Number:
1354937-63-5
Molecular Formula:
C13H9NO2
Molecular Weight:
211.2161
MDL Number:
MFCD21334957
IUPAC Name:
3-naphthalen-1-yl-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C13H9NO2/c15-13-8-12(14-16-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,14H
InChI Key:
BFYGETYYPBIJAS-UHFFFAOYSA-N
SMILES:
Oc1onc(c1)c1cccc2c1cccc2
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.22g/mol
Monoisotopic Mass:
211.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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