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164171-56-6 | Phenol, 2-(5-isoxazolyl)-5-methyl-
CAS No: 164171-56-6 Catalog No: AG001UOQ MDL No:MFCD00218657
Product Description
Catalog Number:
AG001UOQ
Chemical Name:
Phenol, 2-(5-isoxazolyl)-5-methyl-
CAS Number:
164171-56-6
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00218657
IUPAC Name:
4-methyl-2-(1,2-oxazol-5-yl)phenol
InChI:
InChI=1S/C10H9NO2/c1-7-2-3-9(12)8(6-7)10-4-5-11-13-10/h2-6,12H,1H3
InChI Key:
OZKYVNKXVHASGF-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)O)c1ccno1
Properties
Complexity:
174
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
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