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89263-90-1 | Phenol, 4-[3-(4-methoxyphenyl)-5-isoxazolyl]-
CAS No: 89263-90-1 Catalog No: AG0087Q8 MDL No:
Product Description
Catalog Number:
AG0087Q8
Chemical Name:
Phenol, 4-[3-(4-methoxyphenyl)-5-isoxazolyl]-
CAS Number:
89263-90-1
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
4-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
InChI:
InChI=1S/C16H13NO3/c1-19-14-8-4-11(5-9-14)15-10-16(20-17-15)12-2-6-13(18)7-3-12/h2-10,18H,1H3
InChI Key:
CGPDTTTWYZYLGP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1noc(c1)c1ccc(cc1)O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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