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1015846-11-3 | Ethanone, 1-[1-(3-methoxyphenyl)-1H-pyrazol-4-yl]-
CAS No: 1015846-11-3 Catalog No: AG0004VY MDL No:MFCD09055194
Product Description
Catalog Number:
AG0004VY
Chemical Name:
Ethanone, 1-[1-(3-methoxyphenyl)-1H-pyrazol-4-yl]-
CAS Number:
1015846-11-3
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD09055194
IUPAC Name:
1-[1-(3-methoxyphenyl)pyrazol-4-yl]ethanone
InChI:
InChI=1S/C12H12N2O2/c1-9(15)10-7-13-14(8-10)11-4-3-5-12(6-11)16-2/h3-8H,1-2H3
InChI Key:
ZEVZEQYTJIGCNE-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)n1ncc(c1)C(=O)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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