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30707-74-5 | 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-morpholinyl)-2-phenyl-
CAS No: 30707-74-5 Catalog No: AG003110 MDL No:MFCD00445987
Product Description
Catalog Number:
AG003110
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-5-(4-morpholinyl)-2-phenyl-
CAS Number:
30707-74-5
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
MDL Number:
MFCD00445987
IUPAC Name:
5-morpholin-4-yl-2-phenyl-4H-pyrazol-3-one
InChI:
InChI=1S/C13H15N3O2/c17-13-10-12(15-6-8-18-9-7-15)14-16(13)11-4-2-1-3-5-11/h1-5H,6-10H2
InChI Key:
DQRCBHHVZDSBAF-UHFFFAOYSA-N
SMILES:
O=C1CC(=NN1c1ccccc1)N1CCOCC1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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