200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 876-92-6
876-92-6 | 1-Phenyl-1H-pyrazol-5(4H);-one
CAS No: 876-92-6 Catalog No: AG004NS6 MDL No:MFCD00462194
Product Description
Catalog Number:
AG004NS6
Chemical Name:
1-Phenyl-1H-pyrazol-5(4H);-one
CAS Number:
876-92-6
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD00462194
IUPAC Name:
2-phenyl-4H-pyrazol-3-one
InChI:
InChI=1S/C9H8N2O/c12-9-6-7-10-11(9)8-4-2-1-3-5-8/h1-5,7H,6H2
InChI Key:
FTCOWMWIZNVSPP-UHFFFAOYSA-N
SMILES:
O=C1CC=NN1c1ccccc1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.