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89169-88-0 | 1H-Pyrazole-4-carboxaldehyde,2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-, 4-oxime
CAS No: 89169-88-0 Catalog No: AG003WEZ MDL No:
Product Description
Catalog Number:
AG003WEZ
Chemical Name:
1H-Pyrazole-4-carboxaldehyde,2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-, 4-oxime
CAS Number:
89169-88-0
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
4-(hydroxyiminomethyl)-1,5-dimethyl-2-phenylpyrazol-3-one
InChI:
InChI=1S/C12H13N3O2/c1-9-11(8-13-17)12(16)15(14(9)2)10-6-4-3-5-7-10/h3-8,17H,1-2H3
InChI Key:
USGRDSGMDRNIRM-UHFFFAOYSA-N
SMILES:
ON=Cc1c(C)n(n(c1=O)c1ccccc1)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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