200,000+ products from a single source!
sales@angenechem.com
89522-19-0 | 3H-Pyrazol-3-one, 4-[(2-aminophenyl)methylene]-2,4-dihydro-5-methyl-
CAS No: 89522-19-0 Catalog No: AG003ZUH MDL No:
Product Description
Catalog Number:
AG003ZUH
Chemical Name:
3H-Pyrazol-3-one, 4-[(2-aminophenyl)methylene]-2,4-dihydro-5-methyl-
CAS Number:
89522-19-0
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
IUPAC Name:
4-[(2-aminophenyl)methylidene]-3-methyl-1H-pyrazol-5-one
InChI:
InChI=1S/C11H11N3O/c1-7-9(11(15)14-13-7)6-8-4-2-3-5-10(8)12/h2-6H,12H2,1H3,(H,14,15)
InChI Key:
YADNHFRVHMUAMA-UHFFFAOYSA-N
SMILES:
O=C1NN=C(C1=Cc1ccccc1N)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.229g/mol
Monoisotopic Mass:
201.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.