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89090-00-6 | 1H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-5-hydroxy-5-phenyl-
CAS No: 89090-00-6 Catalog No: AG003ZZH MDL No:
Product Description
Catalog Number:
AG003ZZH
Chemical Name:
1H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-5-hydroxy-5-phenyl-
CAS Number:
89090-00-6
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
5-hydroxy-5-phenyl-4H-pyrazole-1-carbaldehyde
InChI:
InChI=1S/C10H10N2O2/c13-8-12-10(14,6-7-11-12)9-4-2-1-3-5-9/h1-5,7-8,14H,6H2
InChI Key:
ARSIVIDSGNKUKN-UHFFFAOYSA-N
SMILES:
O=CN1N=CCC1(O)c1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/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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