Home Other Building Blocks 3-methoxy-4-methyl-1H-pyrazole

3-methoxy-4-methyl-1H-pyrazole

CAS No.:
1533442-13-5
Catalog Number:
AG01EIP9
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
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Product Description
Catalog Number:
AG01EIP9
Chemical Name:
3-methoxy-4-methyl-1H-pyrazole
CAS Number:
1533442-13-5
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD30746239
IUPAC Name:
5-methoxy-4-methyl-1H-pyrazole
InChI:
InChI=1S/C5H8N2O/c1-4-3-6-7-5(4)8-2/h3H,1-2H3,(H,6,7)
InChI Key:
QWIUBHUVCAXJGR-UHFFFAOYSA-N
SMILES:
COc1n[nH]cc1C
Properties
Complexity:
76.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.064g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
112.132g/mol
Monoisotopic Mass:
112.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties