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10223-33-3 | 3H-Pyrazol-3-one, 2,4-dihydro-4-(2-hydroxyethyl)-5-methyl-2-phenyl-
CAS No: 10223-33-3 Catalog No: AG0006ZR MDL No:
Product Description
Catalog Number:
AG0006ZR
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-4-(2-hydroxyethyl)-5-methyl-2-phenyl-
CAS Number:
10223-33-3
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
4-(2-hydroxyethyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
InChI:
InChI=1S/C12H14N2O2/c1-9-11(7-8-15)12(16)14(13-9)10-5-3-2-4-6-10/h2-6,11,15H,7-8H2,1H3
InChI Key:
AVOONTISHAAFGN-UHFFFAOYSA-N
SMILES:
OCCC1C(=NN(C1=O)c1ccccc1)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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