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88075-56-3 | 3H-Pyrazol-3-one, 2,4-dihydro-5-(1-methyl-1-propenyl)-2-phenyl-
CAS No: 88075-56-3 Catalog No: AG004HPQ MDL No:
Product Description
Catalog Number:
AG004HPQ
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-5-(1-methyl-1-propenyl)-2-phenyl-
CAS Number:
88075-56-3
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
IUPAC Name:
5-but-2-en-2-yl-2-phenyl-4H-pyrazol-3-one
InChI:
InChI=1S/C13H14N2O/c1-3-10(2)12-9-13(16)15(14-12)11-7-5-4-6-8-11/h3-8H,9H2,1-2H3
InChI Key:
ILTCHXBNDGPMCC-UHFFFAOYSA-N
SMILES:
CC=C(C1=NN(C(=O)C1)c1ccccc1)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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