Home Other Building Blocks 1H-Pyrazole, 3,5-dimethoxy-

1H-Pyrazole, 3,5-dimethoxy-

CAS No.:
119224-75-8
Catalog Number:
AG000IER
Molecular Formula:
C5H8N2O2
Molecular Weight:
128.1292
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Product Description
Catalog Number:
AG000IER
Chemical Name:
1H-Pyrazole, 3,5-dimethoxy-
CAS Number:
119224-75-8
Molecular Formula:
C5H8N2O2
Molecular Weight:
128.1292
MDL Number:
MFCD21340362
IUPAC Name:
3,5-dimethoxy-1H-pyrazole
InChI:
InChI=1S/C5H8N2O2/c1-8-4-3-5(9-2)7-6-4/h3H,1-2H3,(H,6,7)
InChI Key:
QXXCDDWJKVBBAF-UHFFFAOYSA-N
SMILES:
COc1[nH]nc(c1)OC
Properties
Complexity:
89  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.059g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
128.131g/mol
Monoisotopic Mass:
128.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties