200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 13315-23-6
13315-23-6 | 3H-Pyrazol-3-one, 2,4-dihydro-4-methyl-
CAS No: 13315-23-6 Catalog No: AG0014CC MDL No:MFCD18447674
Product Description
Catalog Number:
AG0014CC
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-4-methyl-
CAS Number:
13315-23-6
Molecular Formula:
C4H6N2O
Molecular Weight:
98.1032
MDL Number:
MFCD18447674
IUPAC Name:
4-methyl-1,4-dihydropyrazol-5-one
InChI:
InChI=1S/C4H6N2O/c1-3-2-5-6-4(3)7/h2-3H,1H3,(H,6,7)
InChI Key:
GWYFIIHULJCWMO-UHFFFAOYSA-N
SMILES:
CC1C=NNC1=O
EC Number:
236-346-6
NSC Number:
147759
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.048g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
98.105g/mol
Monoisotopic Mass:
98.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.