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875628-75-4 | 4-(3,5-Dimethylisoxazol-4-yl)phenol
CAS No: 875628-75-4 Catalog No: AG004RLA MDL No:MFCD18312782
Product Description
Catalog Number:
AG004RLA
Chemical Name:
4-(3,5-Dimethylisoxazol-4-yl)phenol
CAS Number:
875628-75-4
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD18312782
IUPAC Name:
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
InChI:
InChI=1S/C11H11NO2/c1-7-11(8(2)14-12-7)9-3-5-10(13)6-4-9/h3-6,13H,1-2H3
InChI Key:
KETDAHHUUHZPRG-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1c(C)noc1C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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