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104516-56-5 | Phenol, 4-(5-methyl-3-isoxazolyl)-
CAS No: 104516-56-5 Catalog No: AG007HJ3 MDL No:
Product Description
Catalog Number:
AG007HJ3
Chemical Name:
Phenol, 4-(5-methyl-3-isoxazolyl)-
CAS Number:
104516-56-5
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
4-(5-methyl-1,2-oxazol-3-yl)phenol
InChI:
InChI=1S/C10H9NO2/c1-7-6-10(11-13-7)8-2-4-9(12)5-3-8/h2-6,12H,1H3
InChI Key:
GFMDXDJEIFOOOD-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1noc(c1)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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