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288844-44-0 | Phenol, 2-(5-isoxazolyl)-4-(1-methylethyl)-
CAS No: 288844-44-0 Catalog No: AG002WXD MDL No:
Product Description
Catalog Number:
AG002WXD
Chemical Name:
Phenol, 2-(5-isoxazolyl)-4-(1-methylethyl)-
CAS Number:
288844-44-0
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
2-(1,2-oxazol-5-yl)-4-propan-2-ylphenol
InChI:
InChI=1S/C12H13NO2/c1-8(2)9-3-4-11(14)10(7-9)12-5-6-13-15-12/h3-8,14H,1-2H3
InChI Key:
LLFVBKFDJZAAAT-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1c1ccno1)C(C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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