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174905-98-7 | 2-Propen-1-one, 1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-phenyl-, (2E)-
CAS No: 174905-98-7 Catalog No: AG002026 MDL No:
Product Description
Catalog Number:
AG002026
Chemical Name:
2-Propen-1-one, 1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-phenyl-, (2E)-
CAS Number:
174905-98-7
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
IUPAC Name:
1-(3,5-dimethylpyrazol-1-yl)-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C14H14N2O/c1-11-10-12(2)16(15-11)14(17)9-8-13-6-4-3-5-7-13/h3-10H,1-2H3
InChI Key:
PLXULMXYKHEUIH-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C)C(=O)/C=C/c1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.279g/mol
Monoisotopic Mass:
226.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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