200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 1934418-57-1
1934418-57-1 | 1-(pyridin-4-yl)-2,3-dihydro-1H-pyrazol-3-one
CAS No: 1934418-57-1 Catalog No: AG01BH9A MDL No:MFCD30498747
Product Description
Catalog Number:
AG01BH9A
Chemical Name:
1-(pyridin-4-yl)-2,3-dihydro-1H-pyrazol-3-one
CAS Number:
1934418-57-1
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
MDL Number:
MFCD30498747
IUPAC Name:
2-pyridin-4-yl-1H-pyrazol-5-one
InChI:
InChI=1S/C8H7N3O/c12-8-3-6-11(10-8)7-1-4-9-5-2-7/h1-6H,(H,10,12)
InChI Key:
PNBRASLHLCHSEL-UHFFFAOYSA-N
SMILES:
O=c1ccn([nH]1)c1ccncc1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.