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834898-72-5 | 3H-Pyrazol-3-one, 2,4-dihydro-4-(2-methylpentylidene)-5-phenyl-
CAS No: 834898-72-5 Catalog No: AG004VI3 MDL No:
Product Description
Catalog Number:
AG004VI3
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-4-(2-methylpentylidene)-5-phenyl-
CAS Number:
834898-72-5
Molecular Formula:
C15H18N2O
Molecular Weight:
242.3162
IUPAC Name:
4-(2-methylpentylidene)-3-phenyl-1H-pyrazol-5-one
InChI:
InChI=1S/C15H18N2O/c1-3-7-11(2)10-13-14(16-17-15(13)18)12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3,(H,17,18)
InChI Key:
LHGGJBPNEBUZIF-UHFFFAOYSA-N
SMILES:
CCCC(C=C1C(=O)NN=C1c1ccccc1)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.322g/mol
Monoisotopic Mass:
242.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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