200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 98276-70-1
98276-70-1 | 1H-Pyrazole, 3,5-diacetyl-
CAS No: 98276-70-1 Catalog No: AG0068TT MDL No:MFCD20482227
Product Description
Catalog Number:
AG0068TT
Chemical Name:
1H-Pyrazole, 3,5-diacetyl-
CAS Number:
98276-70-1
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD20482227
IUPAC Name:
1-(3-acetyl-1H-pyrazol-5-yl)ethanone
InChI:
InChI=1S/C7H8N2O2/c1-4(10)6-3-7(5(2)11)9-8-6/h3H,1-2H3,(H,8,9)
InChI Key:
ZMKSXYXCIYYSPZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1[nH]nc(c1)C(=O)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.