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288844-42-8 | Phenol, 2-(5-isoxazolyl)-4,5-dimethyl-
CAS No: 288844-42-8 Catalog No: AG002WXF MDL No:
Product Description
Catalog Number:
AG002WXF
Chemical Name:
Phenol, 2-(5-isoxazolyl)-4,5-dimethyl-
CAS Number:
288844-42-8
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
4,5-dimethyl-2-(1,2-oxazol-5-yl)phenol
InChI:
InChI=1S/C11H11NO2/c1-7-5-9(10(13)6-8(7)2)11-3-4-12-14-11/h3-6,13H,1-2H3
InChI Key:
YVRZTAVQMKADHS-UHFFFAOYSA-N
SMILES:
Oc1cc(C)c(cc1c1ccno1)C
Properties
Complexity:
198
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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