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288844-48-4 | Methanone, [5-(1,1-dimethylethyl)-2-hydroxyphenyl]-1H-pyrazol-4-yl-
CAS No: 288844-48-4 Catalog No: AG002WX9 MDL No:
Product Description
Catalog Number:
AG002WX9
Chemical Name:
Methanone, [5-(1,1-dimethylethyl)-2-hydroxyphenyl]-1H-pyrazol-4-yl-
CAS Number:
288844-48-4
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
IUPAC Name:
(5-tert-butyl-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone
InChI:
InChI=1S/C14H16N2O2/c1-14(2,3)10-4-5-12(17)11(6-10)13(18)9-7-15-16-8-9/h4-8,17H,1-3H3,(H,15,16)
InChI Key:
OEOWPJNIJFGODZ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C(=O)c1c[nH]nc1)C(C)(C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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