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1245031-44-0 | 5-(2-NAPHTHALENYL)-3-ISOXAZOLEMETHANOL
CAS No: 1245031-44-0 Catalog No: AG01EMGU MDL No:MFCD17179005
Product Description
Catalog Number:
AG01EMGU
Chemical Name:
5-(2-NAPHTHALENYL)-3-ISOXAZOLEMETHANOL
CAS Number:
1245031-44-0
Molecular Formula:
C14H11NO2
Molecular Weight:
225.2426
MDL Number:
MFCD17179005
IUPAC Name:
(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanol
InChI:
InChI=1S/C14H11NO2/c16-9-13-8-14(17-15-13)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,16H,9H2
InChI Key:
GXLSAFMQEJCNDM-UHFFFAOYSA-N
SMILES:
OCc1noc(c1)c1ccc2c(c1)cccc2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.247g/mol
Monoisotopic Mass:
225.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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