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288844-41-7 | Methanone, [2-hydroxy-5-(1-methylethyl)phenyl]-1H-pyrazol-4-yl-
CAS No: 288844-41-7 Catalog No: AG002WXG MDL No:
Product Description
Catalog Number:
AG002WXG
Chemical Name:
Methanone, [2-hydroxy-5-(1-methylethyl)phenyl]-1H-pyrazol-4-yl-
CAS Number:
288844-41-7
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
(2-hydroxy-5-propan-2-ylphenyl)-(1H-pyrazol-4-yl)methanone
InChI:
InChI=1S/C13H14N2O2/c1-8(2)9-3-4-12(16)11(5-9)13(17)10-6-14-15-7-10/h3-8,16H,1-2H3,(H,14,15)
InChI Key:
RLOJJVIBWMYVKG-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C(=O)c1c[nH]nc1)C(C)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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