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1568-14-5 | 1H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-3-phenyl-
CAS No: 1568-14-5 Catalog No: AG001P0C MDL No:
Product Description
Catalog Number:
AG001P0C
Chemical Name:
1H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-3-phenyl-
CAS Number:
1568-14-5
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
IUPAC Name:
5-phenyl-3,4-dihydropyrazole-2-carbaldehyde
InChI:
InChI=1S/C10H10N2O/c13-8-12-7-6-10(11-12)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChI Key:
UBSOPKLAYPNFFN-UHFFFAOYSA-N
SMILES:
O=CN1CCC(=N1)c1ccccc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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