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89090-01-7

89090-01-7 | 1H-Pyrazol-5-ol, 1-acetyl-4,5-dihydro-5-phenyl-

CAS No: 89090-01-7 Catalog No: AG003Z1U MDL No:

Product Description

Catalog Number:
AG003Z1U
Chemical Name:
1H-Pyrazol-5-ol, 1-acetyl-4,5-dihydro-5-phenyl-
CAS Number:
89090-01-7
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
1-(5-hydroxy-5-phenyl-4H-pyrazol-1-yl)ethanone
InChI:
InChI=1S/C11H12N2O2/c1-9(14)13-11(15,7-8-12-13)10-5-3-2-4-6-10/h2-6,8,15H,7H2,1H3
InChI Key:
VGQWXBZGVYUXMM-UHFFFAOYSA-N
SMILES:
CC(=O)N1N=CCC1(O)c1ccccc1

Properties

Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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