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89090-02-8 | 1H-Pyrazol-5-ol, 4,5-dihydro-1-(1-oxopropyl)-5-phenyl-
CAS No: 89090-02-8 Catalog No: AG003Z1T MDL No:
Product Description
Catalog Number:
AG003Z1T
Chemical Name:
1H-Pyrazol-5-ol, 4,5-dihydro-1-(1-oxopropyl)-5-phenyl-
CAS Number:
89090-02-8
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
1-(5-hydroxy-5-phenyl-4H-pyrazol-1-yl)propan-1-one
InChI:
InChI=1S/C12H14N2O2/c1-2-11(15)14-12(16,8-9-13-14)10-6-4-3-5-7-10/h3-7,9,16H,2,8H2,1H3
InChI Key:
MNQNXMWDAZLQCQ-UHFFFAOYSA-N
SMILES:
CCC(=O)N1N=CCC1(O)c1ccccc1
Properties
Complexity:
297
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:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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